1H-1,2,4-Triazole, 3-(ethenylthio)-5-phenyl-
Basic information
- CAS
110960-77-5- Standard SMILES
C=CSc1n[nH]c(-c2ccccc2)n1- InChIKey
UFWOIOANKYEDEN-UHFFFAOYSA-N- Molecular formula
- C10H9N3S
- Average molar mass
- 203.27 g/mol
- Monoisotopic mass
- 203.05171847
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 3-(ethenylthio)-5-phenyl-
- IUPAC
- 3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole
Names & synonyms
110960-77-53-Vinylthio-5-phenyl-1,2,4-triazoleBRN 48030501H-1,2,4-Triazole, 3-(ethenylthio)-5-phenyl-3-(Ethenylthio)-5-phenyl-1H-1,2,4-triazoleDTXSID00149428RefChem:237035DTXCID50719193-(ETHENYLSULFANYL)-5-PHENYL-1H-1,2,4-TRIAZOLE5-phenyl-3-(vinylthio)-1,2,4-triazole
Database identifiers
- CAS
110960-77-5- PubChem CID
- 3066697
- DTXSID
DTXSID00149428- Nikkaji
- J419.851D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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