1,5-Pentanedithiol

C₅H₁₂S₂CAS 928-98-3136.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₂S₂
Molar mass: 136.27 g/mol
Exact mass: 136.0380 Da
Boiling point: 108–109 °C (at 15 Torr)
logP: 2.02Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H332 Harmful if inhaled83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

928-98-3

SMILES

SCCCCCS

InChIKey

KMTUBAIXCBHPIZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2

Weigh it out

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

Names and synonyms

3 names

1,5-Dimercaptopentane
NSC 51699
1,5-Dithiolpentane

Work with 1,5-Pentanedithiol

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 1,8-Octanedithiol1191-62-4100 % similar 1,10-Decanedithiol1191-67-9100 % similar 1,9-Nonanedithiol3489-28-9100 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook