1,3,5-Trithiane

C3H6S3CAS 291-21-4138.26 g/mol

Open in Covalent MOL file
SSS
Sulfide

Properties

Molecular formula
C3H6S3
Molar mass
138.26 g/mol
Exact mass
137.9632 Da
Melting point
220 °C
Boiling point
148–149 °C (at NaN Torr)
logP
2.07Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
291-21-4
SMILES
C1SCSCS1
InChIKey
LORRLQMLLQLPSJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2

Weigh it out

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

Names and synonyms

9 names
  • s-Trithiane
  • Formaldehyde, thio-, trimer
  • Trimethylene trisulfide
  • 1,3,5-Trithiacyclohexane
  • Trithioformaldehyde
  • Thioform
  • Thioformaldehyde trimer
  • NSC 1937
  • Sym.-Trithiane

Reactions

Work with 1,3,5-Trithiane

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

1,3-Dithiolane4829-04-356 % similar 1,3-Dithiane505-23-745 % similar Bis(2-hydroxyethylthio)methane44860-68-636 % similar Thiirane420-12-233 % similar 1,4-Dithiane505-29-333 % similar 2,2′-Thiobis[ethanamine]871-76-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia