Basic information
- CAS
120728-49-6- Standard SMILES
CC(C)(C)SC(Cl)=C(Cl)Cl- InChIKey
DQSPMSRKCIXUEK-UHFFFAOYSA-N- Molecular formula
- C6H9Cl3S
- Average molar mass
- 219.6 g/mol
- Monoisotopic mass
- 217.949055
Names & identifiers
- Preferred name
- Propane, 2-methyl-2-((trichloroethenyl)thio)-
- IUPAC
- 2-methyl-2-(1,2,2-trichloroethenylsulfanyl)propane
Names & synonyms
Propane, 2-methyl-2-((trichloroethenyl)thio)-120728-49-62-Methyl-2-((trichloroethenyl)thio)propaneDTXSID001529772-Methyl-2-[(1,2,2-trichloroethen-1-yl)sulfanyl]propane
Database identifiers
- CAS
120728-49-6- PubChem CID
- 147496
- DTXSID
DTXSID00152977
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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