chempirical

3-Mercaptopropane-1,2-diol

C3H8O2SCAS 96-27-5108.16 g/mol

Open in Covalent MOL file
HOOHSH
AlcoholThiol

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)
logP
-0.73Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

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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