Basic information
- CAS
63698-06-6- Standard SMILES
CC(=NNC(=S)Nc1ccccc1)c1ccccn1- InChIKey
VHVSCHSQNUUXNS-UHFFFAOYSA-N- Molecular formula
- C14H14N4S
- Average molar mass
- 270.35 g/mol
- Monoisotopic mass
- 270.09391764
Names & identifiers
- Preferred name
- 1-Phenyl-3-(1-pyridin-2-ylethylideneamino)thiourea
- IUPAC
- 1-phenyl-3-(1-pyridin-2-ylethylideneamino)thiourea
Names & synonyms
N-Phenyl-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carboximidothioic acidMLS0031156351-phenyl-3-(1-pyridin-2-ylethylideneamino)thioureaSCHEMBL9321789CHEMBL1867591DTXSID60980011SMR001831207DB-216934
Database identifiers
- CAS
63698-06-6- PubChem CID
- 3000575
- DTXSID
DTXSID60980011- ChEMBL
CHEMBL1867591
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
LogP2.99
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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