S-ethyl 4-ethylsulfonylbenzenecarbothioate
Basic information
- CAS
7152-44-5- Standard SMILES
CCSC(=O)c1ccc(S(=O)(=O)CC)cc1- InChIKey
SAXKFUJMKXSQDT-UHFFFAOYSA-N- Molecular formula
- C11H14O3S2
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.03843665
Names & identifiers
- Preferred name
- S-ethyl 4-ethylsulfonylbenzenecarbothioate
- IUPAC
- S-ethyl 4-ethylsulfonylbenzenecarbothioate
- English name
- ethylsulfanyl-(4-ethylsulfonylphenyl)methanone
- Molecular formula
- C11H14O3S2
- Molecular weight
- 258.36
Names & synonyms
7152-44-5S-ethyl 4-ethylsulfonylbenzenecarbothioateNSC23808DTXSID90992001NSC-23808Ethyl p-(ethyl sulfonyl) thiobenzoateS-Ethyl 4-(ethanesulfonyl)benzene-1-carbothioateethylsulfanyl-(4-ethylsulfonylphenyl)methanoneBenzenecarbothioic acid, 4-(ethylsulfonyl)-, S-ethyl ester
Database identifiers
- CAS
7152-44-5- PubChem CID
- 229816
- DTXSID
DTXSID90992001
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
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Compound notes
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