Basic information
- CAS
108679-68-1- Standard SMILES
Cc1ccc(S(=O)(=O)NNC(=O)C(=O)Nc2nc3ccccc3s2)cc1- InChIKey
FDGXRVZOVDMIOF-UHFFFAOYSA-N- Molecular formula
- C16H14N4O4S2
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.04564729
Names & identifiers
- Preferred name
- Acetic acid, (2-benzothiazolylamino)oxo-, 2-((4-methylphenyl)sulfonyl)hydrazide
- IUPAC
- N-(1,3-benzothiazol-2-yl)-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
Names & synonyms
108679-68-1ACETIC ACID, (2-BENZOTHIAZOLYLAMINO)OXO-, 2-((4-METHYLPHENYL)SULFONYL)HYDRAZIDE(2-Benzothiazolylamino)oxoacetic acid 2-((4-methylphenyl)sulfonyl)hydrazideDTXSID30148707RefChem:316148DTXCID8071198N-(1,3-Benzothiazol-2-yl)-2-[2-(4-methylbenzene-1-sulfonyl)hydrazin-1-yl]-2-oxoacetamide
Database identifiers
- CAS
108679-68-1- PubChem CID
- 60264
- DTXSID
DTXSID30148707
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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