chempirical

3-Mercapto-1-propanol

C3H8OSCAS 19721-22-392.16 g/mol

Open in Covalent MOL file
HOSH
AlcoholThiol

Properties

Molecular formula
C3H8OS
Molar mass
92.16 g/mol
Exact mass
92.0296 Da
Boiling point
85–90 °C (at 15 Torr)
logP
0.30Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
19721-22-3
SMILES
OCCCS
InChIKey
SHLSSLVZXJBVHE-UHFFFAOYSA-N
InChI
InChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2

Weigh it out

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

Names and synonyms

8 names
  • 1-Propanol, 3-mercapto-
  • 1-Mercapto-3-propanol
  • 3-Hydroxypropyl mercaptan
  • 3-Mercaptopropanol
  • 3-Hydroxypropanethiol
  • NSC 46437
  • 3-Sulfanylpropanol
  • 3-Sulfanylpropan-1-ol

Work with 3-Mercapto-1-propanol

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

6-Mercapto-1-hexanol1633-78-975 % similar 2-Mercaptoethanol60-24-260 % similar Propane-1,3-dithiol109-80-850 % similar 1,4-Butanediol110-63-450 % similar 1,4-Butanedithiol1191-08-850 % similar Polytetrahydrofuran25190-06-150 % similar 1,3-Propanediol504-63-250 % similar 1,6-Hexanedithiol1191-43-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Methylthio)ethanol5271-38-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook