N-(3-methylphenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide
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Basic information
- CAS
635293-34-4- Standard SMILES
Cc1cccc(NC(=O)c2nc(=O)ss2)c1- InChIKey
OQBJABAAXAHSRN-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2S2
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.00271985
Names & identifiers
- Preferred name
- N-(3-methylphenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide
- IUPAC
- N-(3-methylphenyl)-5-oxo-1,2,4-dithiazole-3-carboxamide
- English name
- 3H-1,2,4-Dithiazole-5-carboxamide,N-(3-methylphenyl)-3-oxo-(9CI)
- Molecular formula
- C10H8N2O2S2
- Molecular weight
- 252.31
Names & synonyms
635293-34-43h-1,2,4-dithiazole-5-carboxamide,n-(3-methylphenyl)-3-oxo-3H-1,2,4-Dithiazole-5-carboxamide, N-(3-methylphenyl)-3-oxo-3H-1,2,4-Dithiazole-5-carboxamide,N-(3-methylphenyl)-3-oxo-(9CI)
Database identifiers
- CAS
635293-34-4- PubChem CID
- 45086880
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
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Compound notes
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