N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea
Basic information
- CAS
5102-47-6- Standard SMILES
S=C(NC1CCCCC1)Nn1cnnc1- InChIKey
NXERZNCCLZHVKC-UHFFFAOYSA-N- Molecular formula
- C9H15N5S
- Average molar mass
- 225.32 g/mol
- Monoisotopic mass
- 225.10481667
Names & identifiers
- Preferred name
- N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea
- IUPAC
- 1-cyclohexyl-3-(1,2,4-triazol-4-yl)thiourea
Names & synonyms
N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthioureaDTXSID801253127AKOS0037241615102-47-6N-Cyclohexyl-Na(2)-4H-1,2,4-triazol-4-ylthiourea
Database identifiers
- CAS
5102-47-6- PubChem CID
- 4243597
- DTXSID
DTXSID801253127
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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