Carbonic acid, trithio-, bis(2-chloroethyl)ester
Basic information
- CAS
63938-92-1- Standard SMILES
S=C(SCCCl)SCCCl- InChIKey
GUTSJGCCGITDCZ-UHFFFAOYSA-N- Molecular formula
- C5H8Cl2S3
- Average molar mass
- 235.2 g/mol
- Monoisotopic mass
- 233.9165192
Names & identifiers
- Preferred name
- Carbonic acid, trithio-, bis(2-chloroethyl)ester
- IUPAC
- bis(2-chloroethylsulfanyl)methanethione
- English name
- Trithiocarbonic acid bis(2-chloroethyl) ester
- Molecular formula
- C5H8Cl2S3
- Molecular weight
- 235.22
Names & synonyms
TL 96063938-92-1CARBONIC ACID, TRITHIO-, BIS(2-CHLOROETHYL)ESTERDTXSID20213776RefChem:333453DTXCID50136267Trithiocarbonic acid bis(2-chloroethyl) esterBis(2-chloroethyl) carbonotrithioateDB-309478TL-960Carbonotrithioic acid, bis(2-chloroethyl) ester
Database identifiers
- CAS
63938-92-1- PubChem CID
- 45622
- DTXSID
DTXSID20213776- Nikkaji
- J68.140G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 86.9
Physicochemical properties
- Boiling point
- 22.65 °C · 22.65°C
- Density
- 1.3793 · 1.3793 (estimate)
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Related reactions
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Compound notes
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