Basic information
- CAS
89652-17-5- Standard SMILES
S=C(Nc1ccccc1)N1CCC(c2ccccc2)=N1- InChIKey
KNSJDDUUZOSORZ-UHFFFAOYSA-N- Molecular formula
- C16H15N3S
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.09866866
Names & identifiers
- Preferred name
- 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl-
- IUPAC
- N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
Names & synonyms
89652-17-51H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl-DTXSID70355514RefChem:239855DTXCID00306574N,3-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamideN,5-diphenyl-3,4-dihydropyrazole-2-carbothioamideChemDiv3_001784Oprea1_488645HMS1478B02STK077350AKOS001631938
Show more names
IDI1_020750AI-346/15371018N,3-diphenyl-4,5-dihydropyrazole-1-carbothioamideSR-01000454963SR-01000454963-1BRD-K29346029-001-01-4
Database identifiers
- CAS
89652-17-5- PubChem CID
- 804142
- DTXSID
DTXSID70355514- Nikkaji
- J316.063G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…