1,8-Octanedithiol

C₈H₁₈S₂CAS 1191-62-4178.35 g/mol

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Properties

Molecular formula: C₈H₁₈S₂
Molar mass: 178.35 g/mol
Exact mass: 178.0850 Da
Melting point: 0.9 °C
Boiling point: 101 °C (at 1 Torr)
logP: 3.19Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 138 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

1191-62-4

SMILES

SCCCCCCCCS

InChIKey

PGTWZHXOSWQKCY-UHFFFAOYSA-N

InChI

InChI=1S/C8H18S2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2

Weigh it out

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Names and synonyms

1 names

1,8-Octamethylenedithiol

Work with 1,8-Octanedithiol

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

1,6-Hexanedithiol1191-43-1100 % 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

tert-Butyl disulfide110-06-5 Bis(2-methylpropyl) disulfide1518-72-5 Butyl disulfide629-45-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook