Basic information
- CAS
930-35-8- Standard SMILES
S=c1sccs1- InChIKey
WYKJWNVWJOKVQP-UHFFFAOYSA-N- Molecular formula
- C3H2S3
- Average molar mass
- 134.3 g/mol
- Monoisotopic mass
- 133.93186306
Names & identifiers
- Preferred name
- 1,3-Dithiole-2-Thione
- IUPAC
- 1,3-dithiole-2-thione
- English name
- 1,3-DITHIOLE-2-THIONE
- Molecular formula
- C3H2S3
- Molecular weight
- 134.24
Names & synonyms
1,3-Dithiole-2-thione930-35-8Vinylene trithiocarbonate1,3-Dithiol-2-thioneISOTRITHIONEEINECS 213-215-10K9M0CR06OUNII-0K9M0CR06ODTXSID802392301,3-Dithiacyclopentane, 2-thione-1,2-ETHENEDITHIOL, CYCLIC TRITHIOCARBONATECARBONIC ACID, TRITHIO-, CYCLIC VINYLENE ESTER
Show more names
DithioleneDT-827A1,3-dithiolethione1,3-Dithiole-2-thione>VINYLENE TRITHIOCARBONATE1,3-Dithiole-2-thione ,98%Vinylene trithiocarbonate 98%
RefChem:72843DTXCID00161721213-215-1InChI=1/C3H2S3/c4-3-5-1-2-6-3/h1-2WYKJWNVWJOKVQP-UHFFFAOYSA-N2H-1,3-dithiole-2-thioneMFCD000145361,3-Dithia-2-thioxo-cyclopent-4-ene
Database identifiers
- CAS
930-35-8- PubChem CID
- 70254
- DTXSID
DTXSID80239230- UNII
- 0K9M0CR06O
- EC Number
- 213-215-1
- Nikkaji
- J12.484B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 84.2
Physicochemical properties
- Melting point
- 48 · 48-50 °C(lit.)
- Boiling point
- 122 · 122-126℃ (0.5 Torr)
- Density
- 1.423 · 1.423 (estimate)
- refractive index
- 1.7 · 1.7000 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- solid
- color
- yellow
- BRN
- 105686 · 105686
- InChI
- 1S/C3H2S3/c4-3-5-1-2-6-3/h1-2H
- InChIKey
- WYKJWNVWJOKVQP-UHFFFAOYSA-N
- SMILES
- S=C1SC=CS1
- CAS DataBase Reference
- 930 · 930-35-8
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 K9M0CR06O · 0K9M0CR06O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- RTECS
- 1292125 · JP1292125
- F
- 8 · 8-10-13
- HS Code
- 29309090 · 29309090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- F
- 8-10-13
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- JP1292125
- hs_code
- 29309090
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesVinylene trithiocarbonate may be used in the synthesis of series of symmetrical 1,3-dithiole-2-thiones and -ones. It is suitable for use as substrate to investigate the omega class glutathione S-transferase enzymatic activity.
General DescriptionVinylene trithiocarbonate has been investigated as electrolyte additive for use in lithium ion batteries.
Upstream & downstream products
Upstream raw materials
Suppliers55 total
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Related reactions
2 records
Compound notes
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