1,1'-Sulfanediylbis(1H-1,2,4-triazole)
Basic information
- CAS
65952-71-8- Standard SMILES
c1ncn(Sn2cncn2)n1- InChIKey
DSHMLZMUXJZPGA-UHFFFAOYSA-N- Molecular formula
- C4H4N6S
- Average molar mass
- 168.18 g/mol
- Monoisotopic mass
- 168.02181533
Names & identifiers
- Preferred name
- 1,1'-Sulfanediylbis(1H-1,2,4-triazole)
- IUPAC
- 1-(1,2,4-triazol-1-ylsulfanyl)-1,2,4-triazole
Names & synonyms
1,1'-Sulfanediylbis(1H-1,2,4-triazole)65952-71-8DTXSID60321884RefChem:212435DTXCID302730031-(1,2,4-triazol-1-ylsulfanyl)-1,2,4-triazoleNSC382807SCHEMBL3805918NSC-382807DS-007913
Database identifiers
- CAS
65952-71-8- PubChem CID
- 343383
- DTXSID
DTXSID60321884- Nikkaji
- J1.927.574D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 118
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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