chempirical

Thiane

C5H10SCAS 1613-51-0102.19 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C5H10S
Molar mass
102.19 g/mol
Exact mass
102.0503 Da
Density
0.9943 g/mL (at 18 °C)
Melting point
19 °C
Boiling point
141.8 °C
logP
1.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)

Aggregated from 47 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
1613-51-0
SMILES
C1CCSCC1
InChIKey
YPWFISCTZQNZAU-UHFFFAOYSA-N
InChI
InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2

Weigh it out

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

Names and synonyms

10 names
  • 2H-Thiopyran, tetrahydro-
  • Thiopyran, tetrahydro-
  • Thiapyran, tetrahydro-
  • Tetrahydro-2H-thiopyran
  • Pentamethylene sulfide
  • Penthiophane
  • Tetrahydrothiopyran
  • Thiacyclohexane
  • Tetrahydrothiapyran
  • NSC 9459

Work with Thiane

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

Tetrahydrothiophene110-01-089 % similar Thietane287-27-470 % similar Dodecyl sulfide2469-45-660 % similar Dioctyl sulfide2690-08-660 % similar 1-(Hexadecylthio)hexadecane3312-77-460 % similar 1,1′-Thiobis[heptane]629-65-260 % similar Dihexyl sulfide6294-31-160 % similar 1,1′-Thiobis[decane]693-83-460 % similar

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

Same formula

Cyclopentanethiol1679-07-8 Prenylthiol5287-45-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia