chempirical

7-Thiabicyclo[4.1.0]heptane

C6H10SCAS 286-28-2114.21 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C6H10S
Molar mass
114.21 g/mol
Exact mass
114.0503 Da
Boiling point
67–68 °C (at 16 Torr)
logP
2.04Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
286-28-2
SMILES
C1CCC2SC2C1
InChIKey
PQWJNIJNYRPOAA-UHFFFAOYSA-N
InChI
InChI=1S/C6H10S/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2

Weigh it out

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

Names and synonyms

5 names
  • Cyclohexane, 1,2-epithio-
  • 1,2-Cyclohexylene sulfide
  • Cyclohexene episulfide
  • Cyclohexene, sulfide
  • NSC 59716

Reactions

Work with 7-Thiabicyclo[4.1.0]heptane

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

cis-Decalin493-01-636 % similar trans-Decalin493-02-736 % similar Decalin91-17-836 % similar Dicyclohexyl disulfide2550-40-535 % similar Bicyclohexyl92-51-333 % similar Cyclohexylammonium bromide26227-54-330 % similar Methyldicyclohexylamine7560-83-030 % similar

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

Same formula

Diallyl sulfide592-88-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook