3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole
Basic information
- CAS
64445-55-2- Standard SMILES
COc1ccc(-c2c(S(C)(=O)=O)nsc2S(C)(=O)=O)cc1- InChIKey
MYFMNASOXPOQPS-UHFFFAOYSA-N- Molecular formula
- C12H13NO5S3
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 346.99558604
Names & identifiers
- Preferred name
- 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole
- IUPAC
- 4-(4-methoxyphenyl)-3,5-bis(methylsulfonyl)-1,2-thiazole
Names & synonyms
64445-55-2NSC297319DTXSID603157833,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazoleNSC-297319
Database identifiers
- CAS
64445-55-2- PubChem CID
- 326288
- DTXSID
DTXSID60315783
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 555
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Compound notes
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