Cyclopentanethiol

C₅H₁₀SCAS 1679-07-8102.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₀S
Molar mass: 102.20 g/mol
Exact mass: 102.0503 Da
Density: 0.9485 g/mL (at 420 °C)
Boiling point: 132.1 °C
logP: 1.86Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

1679-07-8

SMILES

SC1CCCC1

InChIKey

WVDYBOADDMMFIY-UHFFFAOYSA-N

InChI

InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2

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

Names and synonyms

3 names

Cyclopentyl mercaptan
Mercaptocyclopentane
Cyclopentylthiol

Work with Cyclopentanethiol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclohexanethiol1569-69-392 % similar Dihydrolipoic acid7516-48-539 % similar 2,7-Dimethyloctane1072-16-838 % similar cis-1,2-Dimethylcyclohexane2207-01-438 % similar 1,2-Dimethylcyclohexane583-57-338 % similar trans-1,2-Dimethylcyclohexane6876-23-938 % similar Methylcyclopentane96-37-738 % similar cis-Decalin493-01-636 % similar

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

Same formula

Thiane1613-51-0 Prenylthiol5287-45-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook