[benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione
Basic information
- CAS
35101-83-8- Standard SMILES
S=C(NCc1ccccc1)Nc1ncn[nH]1- InChIKey
UOKDRAHXFOPUAG-UHFFFAOYSA-N- Molecular formula
- C10H11N5S
- Average molar mass
- 233.3 g/mol
- Monoisotopic mass
- 233.07351655
Names & identifiers
- Preferred name
- [benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione
- IUPAC
- 1-benzyl-3-(1H-1,2,4-triazol-5-yl)thiourea
Names & synonyms
35101-83-8ST51031271NSC140294DTXSID00397902AKOS024382674NSC-140294N-Benzyl-N'-(1H-1,2,4-triazol-5-yl)thiourea[benzylamino](1H-1,2,4-triazol-3-ylamino)methane-1-thione
Database identifiers
- CAS
35101-83-8- PubChem CID
- 3910058
- DTXSID
DTXSID00397902
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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