CID 102118391
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Basic information
- CAS
56701-45-2- Standard SMILES
CC1=C([S-])N(c2ccccc2)[N]N1c1ccccc1- InChIKey
ZSYYBLAKZMXXGQ-UHFFFAOYSA-M- Molecular formula
- C15H13N3S-
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.0830186
Names & identifiers
- Preferred name
- CID 102118391
- English name
- 4-Thiolato-5-methyl-1,3-diphenyl-1H-1,2,3-triazol-3-ium
- Molecular formula
- C15H13N3S*-
- Molecular weight
- 267.34882
Names & synonyms
4-Thiolato-5-methyl-1,3-diphenyl-1H-1,2,3-triazol-3-ium
Database identifiers
- CAS
56701-45-2- PubChem CID
- 102118391
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 8.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- -1
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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