4-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoic acid
Basic information
- CAS
571151-21-8- Standard SMILES
Cc1csc(Sc2ccc(C(=O)O)cc2[N+](=O)[O-])n1- InChIKey
XTDFJOXOUFCPAI-UHFFFAOYSA-N- Molecular formula
- C11H8N2O4S2
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 295.99254909
Names & identifiers
- Preferred name
- 4-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoic acid
- IUPAC
- 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoic acid
Names & synonyms
4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoic acid571151-21-84-(4-Methyl-thiazol-2-ylsulfanyl)-3-nitro-benzoic acidAKOS000117317CS-0220238EN300-06150G35439AB00719893-01SR-01000043764SR-01000043764-1Z569192654-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoic acid
Show more names
4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoicacid
Database identifiers
- CAS
571151-21-8- PubChem CID
- 2393300
- EC Number
- 193-446-1
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
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Compound notes
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