Basic information
- CAS
5682-12-2- Standard SMILES
Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1- InChIKey
OZFYZMHUQFKQGS-UHFFFAOYSA-N- Molecular formula
- C11H9ClN4O3S2
- Average molar mass
- 344.8 g/mol
- Monoisotopic mass
- 343.9804602
Names & identifiers
- Preferred name
- N-(2-chloro-4-nitrophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
- IUPAC
- N-(2-chloro-4-nitrophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Names & synonyms
5682-12-2N-(2-chloro-4-nitrophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamideDTXSID40410821AKOS001157510Z25102803
Database identifiers
- CAS
5682-12-2- PubChem CID
- 5218367
- DTXSID
DTXSID40410821
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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