1,6-Hexanedithiol

C₆H₁₄S₂CAS 1191-43-1150.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₄S₂
Molar mass: 150.30 g/mol
Exact mass: 150.0537 Da
Density: 0.983–0.995 g/mL
Melting point: 29.5–30.5 °C
Boiling point: 137–138 °C (at 0.9 Torr)
logP: 2.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed30.9% of notifiers
H312 Harmful in contact with skin30.9% of notifiers
H332 Harmful if inhaled30.9% of notifiers

Aggregated from 97 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

1191-43-1

SMILES

SCCCCCCS

InChIKey

SRZXCOWFGPICGA-UHFFFAOYSA-N

InChI

InChI=1S/C6H14S2/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 and density.

Names and synonyms

5 names

1,6-Dimercaptohexane
1,6-Hexanedimercaptan
1,6-Hexamethylenedithiol
NSC 29031
NSC 403684

Work with 1,6-Hexanedithiol

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

1,8-Octanedithiol1191-62-4100 % similar 1,10-Decanedithiol1191-67-9100 % similar 1,9-Nonanedithiol3489-28-9100 % similar 1,5-Pentanedithiol928-98-3100 % similar 1,4-Butanedithiol1191-08-889 % similar Propane-1,3-dithiol109-80-870 % similar 1-Hexanethiol111-31-960 % similar 1-Octanethiol111-88-660 % similar

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

Same formula

Diisopropyl disulfide4253-89-8 Dipropyl disulfide629-19-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook