Tetramethylene sulfoxide

C4H8OSCAS 1600-44-8104.17 g/mol

Open in Covalent MOL file
OS
Sulfoxide

Properties

Molecular formula
C4H8OS
Molar mass
104.17 g/mol
Exact mass
104.0296 Da
Boiling point
105–107 °C (at 12 Torr)
logP
0.53Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
1600-44-8
SMILES
O=S1CCCC1
InChIKey
ISXOBTBCNRIIQO-UHFFFAOYSA-N
InChI
InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2

Weigh it out

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

Names and synonyms

15 names · show all
  • Thiophene, tetrahydro-, 1-oxide
  • Tetrahydrothiophene 1-oxide
  • Thiophane oxide
  • Tetrahydrothiophene oxide
  • Thiophane monoxide
  • Thiophane 1-oxide
  • Tetrahydrothiophene sulfoxide
  • Tetrahydrothiophene S-oxide
  • Thiolane 1-oxide
  • Thiolane sulfoxide
  • NSC 65433
  • TMSO
  • 1-Oxo-tetrahydrothiophene
  • Tetrahydrothiophene-1-monoxide
  • 1λ4-Thiolan-1-one

Work with Tetramethylene sulfoxide

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

Dibutyl sulfoxide2168-93-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methylthio-2-propanone14109-72-9 1,4-Oxathiane15980-15-1 Methional3268-49-3 3-Mercapto-2-butanone40789-98-8 S-Methyl thiopropionate5925-75-7 S-Ethyl thioacetate625-60-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook