Benzene, 1-chloro-2-(methylsulfinyl)-
Basic information
- CAS
7321-57-5- Standard SMILES
CS(=O)c1ccccc1Cl- InChIKey
JBBMLDVMKGVUIS-UHFFFAOYSA-N- Molecular formula
- C7H7ClOS
- Average molar mass
- 174.65 g/mol
- Monoisotopic mass
- 173.9906137
Names & identifiers
- Preferred name
- Benzene, 1-chloro-2-(methylsulfinyl)-
- IUPAC
- 1-chloro-2-methylsulfinylbenzene
- English name
- 1-Chloro-2-(methylsulfinyl)benzene
- Molecular formula
- C7H7ClOS
- Molecular weight
- 174.65
Names & synonyms
7321-57-5Benzene, 1-chloro-2-(methylsulfinyl)-DTXSID20381247RefChem:323675DTXCID003322721-chloro-2-(methylsulphinyl)benzene1-chloro-2-methylsulfinylbenzene1-chloro-2-(methylsulfinyl)benzene1-chloro-2-methanesulfinylbenzene2-ChlorophenylmethylsulfoxideSCHEMBL514292orb3031553
Show more names
Methyl 2-chlorophenyl sulfoxideMethyl[2-chlorophenyl] sulfoxideMethyl(2-chlorophenyl) sulfoxide2-Chlorophenyl(methyl) sulfoxide
SCHEMBL11564831SCHEMBL11564834SCHEMBL279976881-chloro-2-methylsulfinyl-benzeneFr122361-Chloro-2-(methanesulfinyl)benzeneCS-0379067F761547
Database identifiers
- CAS
7321-57-5- PubChem CID
- 2779040
- DTXSID
DTXSID20381247- Nikkaji
- J380.989G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 120 °C · 120 °C
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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