Basic information
- CAS
78305-03-0- Standard SMILES
Nc1nnc(Sc2ccc([N+](=O)[O-])cc2)s1- InChIKey
OPPQCJMYUXRMPV-UHFFFAOYSA-N- Molecular formula
- C8H6N4O2S2
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 253.99321779
Names & identifiers
- Preferred name
- 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-(4-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine
Names & synonyms
78305-03-0NSC6550365-((4-Nitrophenyl)thio)-1,3,4-thiadiazol-2-amine5-[(4-nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amineCHEMBL4452918SCHEMBL10532529DTXSID10327417NSC-6550365-(4-nitrophenyl)sulfanyl-3H-1,3,4-thiadiazol-2-imine5-[(4-nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-ylamine5-((4-(Hydroxy(oxido)amino)phenyl)thio)-2-imino-2,3-dihydro-1,3,4-thiadiazole
Database identifiers
- CAS
78305-03-0- PubChem CID
- 375370
- DTXSID
DTXSID10327417- ChEMBL
CHEMBL4452918
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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