Taurine (C2H7NO3S): structure, properties and hazards

Names and identifiers

IUPAC name: 2-aminoethanesulfonic acid
Synonyms: 2-aminoethanesulfonic acid, bile salt conjugate, L-Taurine
+ 36 more
Ethanesulfonic acid, 2-amino-, tauphon, 2-Aminoethylsulfonic acid, aminoethylsulfonic acid, 2-Sulfoethylamine, Aminoethanesulfonic acid, O-Due, 2-aminoethane-1-sulfonic acid, taufon, beta-Aminoethylsulfonic acid, Taurinum, Taurina, FEMA No. 3813, Taukard, NCI-C60606, NSC-32428, DTXSID3021304, 1EQV5MLY3D, DTXCID301304, CHEBI:15891, 2-azaniumylethanesulfonate, L-Taurine High, L-Taurine 7421, RefChem:6284, L-Taurine High 7422, Taurine (2-Aminoethane-1-sulfonic acid), 203-483-8, Taurinum [Latin], Taurina [Spanish], Taurine [INN], C2H7NO3S, 1-Aminoethane-2-sulfonic acid, CCRIS 4721, Taurate, UNII-1EQV5MLY3D, AI3-18307
Molecular formula: C₂H₇NO₃S
Empirical formula: C₂H₇NO₃S
Molecular weight: 125.15 g/mol
Exact mass: 125.01466
CAS number: 107-35-7
PubChem CID: 1123
Canonical SMILES: C(CS(=O)(=O)O)N
Isomeric SMILES: C(CS(=O)(=O)O)N
InChI: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChIKey: XOAAWQZATWQOTB-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Large white crystals or white powder.[1]
2 values
From CAMEO Chemicals, the most authoritative source here.
Value As written Source
–shown Large white crystals or white powder. [1] CAMEO Chemicals
– Dry Powder [2] EPA Chemical Data Reporting (CDR)
Odor: Odorless[3]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
–shown Odorless [3] Hazardous Substances Data Bank (HSDB)cites USP; Taurine Material Safety Data Sheet, United States Pharmacopeial Convention, Inc. Available from, as of Jan 30, 2014: https://www.usp.org/pdf/EN/referenceStandards/msds/1643361.pdf
– Almost odorless [3] Hazardous Substances Data Bank (HSDB)cites European Food Safety Authority; EFSA Journal 10(6): 2736 (2012). Available from, as of Jan 31, 2014: https://www.efsa.europa.eu/en/efsajournal/doc/2736.pdf
Melting point: 300 °C (572 °F) (decomposes) (NTP, 1992)[1]
Density: Density = 1.7 g/cu cm[3]
Solubility in water: In water, 94.9 g/L at 25 °C[3]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– 50 to 100 mg/mL at 74.3 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–shown In water, 94.9 g/L at 25 °C [3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 41

Value	As written	Source
–shown	Large white crystals or white powder.	[1] CAMEO Chemicals
–	Dry Powder	[2] EPA Chemical Data Reporting (CDR)

Value	As written	Source
–shown	Odorless	[3] Hazardous Substances Data Bank (HSDB)cites USP; Taurine Material Safety Data Sheet, United States Pharmacopeial Convention, Inc. Available from, as of Jan 30, 2014: https://www.usp.org/pdf/EN/referenceStandards/msds/1643361.pdf
–	Almost odorless	[3] Hazardous Substances Data Bank (HSDB)cites European Food Safety Authority; EFSA Journal 10(6): 2736 (2012). Available from, as of Jan 31, 2014: https://www.efsa.europa.eu/en/efsajournal/doc/2736.pdf

Value	As written	Source
–	50 to 100 mg/mL at 74.3 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–shown	In water, 94.9 g/L at 25 °C	[3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 41

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 7
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 2
H-bond acceptors: 3 computed here · PubChem 4
Rotatable bonds: 2
TPSA (Å²): 80.4 computed here · PubChem 88.8
Formal charge: 0
XLogP3: -4.1 PubChem
Complexity: 120 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C19.19%
H5.64%
N11.19%
O38.35%
S25.62%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: -1.17 Crippen (Wildman and Crippen 1999)
log S (water solubility): 0.25 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.62 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 125.15
log P ≤ 5 (Crippen): -1.17
H-bond donors ≤ 5: 2
H-bond acceptors ≤ 10: 3

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

Most widely reported: 1,656 company reports to ECHA. Source [4].

Harmful or irritant

H315Causes skin irritation (81.5% of reports)
H319Causes serious eye irritation (81.5% of reports)
H335May cause respiratory irritation (81.4% of reports)

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

View all classifications (2)

[4] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 18.5% (307 of 1656) of reports.
[4] European Chemicals Agency (ECHA) · 1,656 reports · WarningH315, H319, H335

First aid

Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]

Storage

Keep container tightly closed in a dry and well-ventilated place.[3]

Incompatibilities

Strong oxidizing agents[3]

Safety data sheets on the supplier’s page: Aladdin Scientific, Thermo Fisher Scientific, VladaChem.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[4]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[5]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[6]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[7]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
[8]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[9]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.