chempirical

6-Mercapto-1-hexanol

C6H14OSCAS 1633-78-9134.24 g/mol

Open in Covalent MOL file
HOSH
AlcoholThiol

Properties

Molecular formula
C6H14OS
Molar mass
134.24 g/mol
Exact mass
134.0765 Da
Boiling point
118–119 °C (at 15 Torr)
logP
1.47Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Identifiers

CAS number
1633-78-9
SMILES
OCCCCCCS
InChIKey
UGZAJZLUKVKCBM-UHFFFAOYSA-N
InChI
InChI=1S/C6H14OS/c7-5-3-1-2-4-6-8/h7-8H,1-6H2

Weigh it out

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

Names and synonyms

6 names
  • 1-Hexanol, 6-mercapto-
  • 6-Hydroxy-1-hexanethiol
  • 6-Mercaptohexanol
  • Mercaptohexanol
  • 1-Mercapto-6-hexanol
  • 6-Hydroxyhexyl mercaptan

Work with 6-Mercapto-1-hexanol

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

3-Mercapto-1-propanol19721-22-375 % similar 1,5-Pentanediol111-29-560 % similar 1,10-Decanediol112-47-060 % similar 1,6-Hexanedithiol1191-43-160 % similar 1,8-Octanedithiol1191-62-460 % similar 1,10-Decanedithiol1191-67-960 % similar 1,14-Tetradecanediol19812-64-760 % similar 1,9-Nonanedithiol3489-28-960 % similar

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

Same formula

3-Mercapto-2-methylpentan-1-ol227456-27-1 3-Mercaptohexanol51755-83-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook