1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea
Basic information
- CAS
69123-62-2- Standard SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nncs1- InChIKey
MTAVUFMMNRSMCG-UHFFFAOYSA-N- Molecular formula
- C9H7N5O3S
- Average molar mass
- 265.25 g/mol
- Monoisotopic mass
- 265.02696028
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea
- IUPAC
- 1-(4-nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)urea
Names & synonyms
69123-62-21-(4-nitrophenyl)-3-(1,3,4-thiadiazol-2-yl)ureaNSC297910Oprea1_671429CHEMBL3230531DTXSID40315867NSC-297910N-(4-Nitrophenyl)-N'-(1,3,4-thiadiazol-2-yl)urea
Database identifiers
- CAS
69123-62-2- PubChem CID
- 326470
- DTXSID
DTXSID40315867- ChEMBL
CHEMBL3230531
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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