Basic information
- CAS
73768-82-8- Standard SMILES
O=[N+]([O-])c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1- InChIKey
DKWSAVGWRKSTQR-UHFFFAOYSA-N- Molecular formula
- C8H5N5O4S
- Average molar mass
- 267.22 g/mol
- Monoisotopic mass
- 267.00622483
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)-
- IUPAC
- 5-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole
Names & synonyms
73768-82-81H-1,2,4-Triazole, 3-((2,4-dinitrophenyl)thio)-3-((2,4-Dinitrophenyl)thio)-1H-1,2,4-triazoleDTXSID70224135RefChem:237026DTXCID701466265-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazoleMaybridge1_003129HMS550G05CCG-54945AKOS025135512SR-01000644002-1
Show more names
5-[(2,4-Dinitrophenyl)sulfanyl]-1H-1,2,4-triazole
Database identifiers
- CAS
73768-82-8- PubChem CID
- 153459
- DTXSID
DTXSID70224135
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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