3-Mercapto-2-methylpentan-1-ol

C6H14OSCAS 227456-27-1134.24 g/mol

Open in Covalent MOL file
SHOH
AlcoholThiol

Properties

Molecular formula
C6H14OS
Molar mass
134.24 g/mol
Exact mass
134.0765 Da
Density
0.985–0.995 g/mL
logP
1.32Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 114 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
227456-27-1
SMILES
CCC(S)C(C)CO
InChIKey
HABNNYNSJFKZFE-UHFFFAOYSA-N
InChI
InChI=1S/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • 1-Pentanol, 3-mercapto-2-methyl-
  • 3-Mercapto-2-methyl-1-pentanol
  • 3-Sulfanyl-2-methylpentan-1-ol
  • 2-Methyl-3-sulfanyl-pentan-1-ol
  • 3-Mercapto-2-methyl pentanol

Work with 3-Mercapto-2-methylpentan-1-ol

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

(2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-245 % similar 2-Methyl-1-butanol137-32-642 % similar (S)-2-Methyl-1-butanol1565-80-642 % similar 2-Methyl-1-butanol34713-94-542 % similar (2S,3S)-2-Amino-3-methylpentan-1-ol hydrochloride133736-94-441 % similar 2-Ethyl-1-butanol97-95-040 % similar 3,4-Dimethylhexane583-48-239 % similar 3-Mercapto-2-methylpentanal227456-28-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Mercapto-1-hexanol1633-78-9 3-Mercaptohexanol51755-83-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook