Basic information
- CAS
1200-28-8- Standard SMILES
CS(=O)(=O)Sc1ccc(Cl)cc1- InChIKey
HRDUILPJXCHZPN-UHFFFAOYSA-N- Molecular formula
- C7H7ClO2S2
- Average molar mass
- 222.7 g/mol
- Monoisotopic mass
- 221.9575995
Names & identifiers
- Preferred name
- S-(4-Chlorophenyl) methanesulfonothioate
- IUPAC
- 1-chloro-4-methylsulfonylsulfanylbenzene
- English name
- S-(4-Chlorophenyl) methanesulfonothioate
- Molecular formula
- C7H7ClO2S2
- Molecular weight
- 222.71
Names & synonyms
S-(4-Chlorophenyl) methanesulfonothioate1200-28-8NSC 40484DTXSID80152652RefChem:180552DTXCID1075143NSC404845H5JZG4MR6NSC-404841-chloro-4-methylsulfonylsulfanylbenzeneUNII-5H5JZG4MR6CHEMBL2007152
Show more names
1-chloro-4-methylsulfonylsulfanyl-benzeneNCI60_003826DB-231748Methanesulfonothioic acid, S-(4-chlorophenyl) ester
Database identifiers
- CAS
1200-28-8- PubChem CID
- 237181
- DTXSID
DTXSID80152652- ChEMBL
CHEMBL2007152- UNII
- 5H5JZG4MR6
- Nikkaji
- J3.023.689K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 350.7 · 350.7±44.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- FDA UNII
- 5 H5JZG4MR6 · 5H5JZG4MR6
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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