CAS 291-21-4|Trimethylentrisulfidr|1,3,5-trithiane|Thioformaldehyde trimer|sym-Trithianr|1,3,5-Trithiacyclohexanr|1,3,5-Trithiane|Trimethylene trisulfidr|Trithioformaldehydr|s-Trithiane|1,3,5-trithi...

General Information

Structure

Molecular Formula

C₃H₆S₃

Molecular Mass

138.27474

Exact Mass

137.96316319

Charge

InChI

InChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2

InChIKey

LORRLQMLLQLPSJ-UHFFFAOYSA-N

Canonic Smiles

S1CSCSC1

Isomeric Smiles

S1CSCSC1

Calculated Properties

JChem

LogD (pH = 7.4)

1.78

LogD (pH = 5.5)

1.78

Log P

1.78

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Polar Surface Area

0.00

Polarizability

13.63

Molar Refractivity

36.35

LOG S

-2.12

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

TrimethylentrisulfidrThioformaldehyde trimersym-Trithianr1,3,5-Trithiacyclohexanr1,3,5-TrithianeTrimethylene trisulfidrTrithioformaldehydrs-TrithianeThioforr甲硫醛(三聚体)1,3,5-三噻烷sym.-Trithiane均-三噻烷1,3,5-Trithiane1,3,5-Trithianthioforms-trithianetrithioformaldehydesym-Trithian1,3,5-trithiacyclohexane1,3,5-trithianesym-trithianetrimethylene trisulfide

IUPAC Traditional name

1,3,5-trithiane

IUPAC name

1,3,5-trithiane

Names and Identifiers

Registration numbers

Wikipedia Title

1,3,5-Trithiane

Chemspider ID

8907

CHEBI ID

39196CHEBI:39196