3-Mercaptopropane-1,2-diol

C₃H₈O₂SCAS 96-27-5108.16 g/mol

Open in Covalent MOL file

Alcohol Thiol

Properties

Molecular formula: C₃H₈O₂S
Molar mass: 108.16 g/mol
Exact mass: 108.0245 Da
Density: 1.3 g/mL
Melting point: below 25 °C
Boiling point: 118 °C (at 5 Torr)
Water solubility: miscible
logP: -0.73Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed93.9% of notifiers
H311 Toxic in contact with skin93.1% of notifiers
H315 Causes skin irritation93.1% of notifiers
H317 May cause an allergic skin reaction48.3% of notifiers
H319 Causes serious eye irritation82.3% of notifiers
H331 Toxic if inhaled37.6% of notifiers
H335 May cause respiratory irritation72.9% of notifiers

Aggregated from 362 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

96-27-5

SMILES

OCC(O)CS

InChIKey

PJUIMOJAAPLTRJ-UHFFFAOYSA-N

InChI

InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

25 names · show all

1,2-Propanediol, 3-mercapto-
3-Mercapto-1,2-propanediol
1-Mercaptoglycerol
1-Mercapto-2,3-propanediol
α-Monothioglycerol
α-Thioglycerol
1-Thioglycerol
Thiovanol
1-Monothioglycerol
1-Thio-2,3-propanediol
Thioglycerol
α-Thiolglycerol
2,3-Dihydroxypropanethiol
Glycerol-1-thiol
2,3-Dihydroxy-1-propanethiol
3-Mercapto-1,2-dihydroxypropane
α-Thioglycerin
1-Mercapto-2,3-dihydroxypropane
1,2-Dihydroxy-3-mercaptopropane
1-Thio-DL-glycerol
DL-1-Thioglycerol
(±)-3-Mercapto-1,2-propanediol
Thioglycerin
NSC 5370
3-Sulfanylpropane-1,2-diol

Work with 3-Mercaptopropane-1,2-diol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Polyglycerol25618-55-759 % similar Glycerol56-81-559 % similar 1,2-Butanediol26171-83-545 % similar 1,2,4-Butanetriol3068-00-645 % similar (2R)-1,2-Butanediol40348-66-145 % similar (-)-1,2,4-Butanetriol42890-76-645 % similar (2R)-3-Chloro-1,2-propanediol57090-45-645 % similar 1,2-Butanediol584-03-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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