6-Mercapto-1-hexanol

C₆H₁₄OSCAS 1633-78-9134.24 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 1,13-Tridecanediol13362-52-260 % similar 1,14-Tetradecanediol19812-64-760 % 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