1,10-Decanedithiol

C₁₀H₂₂S₂CAS 1191-67-9206.41 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₂S₂
Molar mass: 206.41 g/mol
Exact mass: 206.1163 Da
Melting point: 20 °C
Boiling point: 165–166 °C (at 15 Torr)
logP: 3.97Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 7 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

1191-67-9

SMILES

SCCCCCCCCCCS

InChIKey

UOQACRNTVQWTFF-UHFFFAOYSA-N

InChI

InChI=1S/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2

Weigh it out

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

Names and synonyms

2 names

1,10-Dimercaptodecane
NSC 9486

Work with 1,10-Decanedithiol

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 1,9-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

Dipentyl disulfide112-51-6 Bis(3-methylbutyl) disulfide2051-04-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook