Basic information
- CAS
34618-67-2- Standard SMILES
Cn1n[n+](C)cc1[S-]- InChIKey
GZIRWFBHMQNZSK-UHFFFAOYSA-N- Molecular formula
- C4H7N3S
- Average molar mass
- 129.19 g/mol
- Monoisotopic mass
- 129.03606841
Names & identifiers
- Preferred name
- 1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt
- IUPAC
- 1,3-dimethyltriazol-1-ium-4-thiolate
Names & synonyms
1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt34618-67-2DTXSID601881911,3-dimethyl-1H-1,2,3-triazol-3-ium-5-thiolate
Database identifiers
- CAS
34618-67-2- PubChem CID
- 141908
- DTXSID
DTXSID60188191- Nikkaji
- J649.099I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 22.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 87.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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