1,2,4-Thiadiazole, 3-methyl-5-(phenylsulfonyl)-
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Basic information
- CAS
21735-06-8- Standard SMILES
Cc1nsc(S(=O)(=O)c2ccccc2)n1- InChIKey
OIFYWUASVHJXSK-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.00271985
Names & identifiers
- Preferred name
- 1,2,4-Thiadiazole, 3-methyl-5-(phenylsulfonyl)-
- IUPAC
- 5-(benzenesulfonyl)-3-methyl-1,2,4-thiadiazole
Names & synonyms
1,2,4-Thiadiazole, 3-methyl-5-(phenylsulfonyl)-3-Methyl-5-(phenylsulfonyl)-1,2,4-thiadiazoleBRN 052557421735-06-8DTXSID50176128RefChem:214969DTXCID20986195-(benzenesulfonyl)-3-methyl-1,2,4-thiadiazoleSCHEMBL3482423
Database identifiers
- CAS
21735-06-8- PubChem CID
- 210835
- DTXSID
DTXSID50176128
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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