Basic information
- CAS
71555-19-6- Standard SMILES
C/C(=N\NC(=S)N(C)C1CCCCC1)c1ccccn1- InChIKey
ZTTYYRXZMKKBMI-SFQUDFHCSA-N- Molecular formula
- C15H22N4S
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.15651789
Names & identifiers
- Preferred name
- Semicarbazide, 4-cyclohexyl-4-methyl-1-(1-(2-pyridyl)ethylidene)-3-thio-
- IUPAC
- 1-cyclohexyl-1-methyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
Names & synonyms
4-Cyclohexyl-4-methyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazideKETONE, METHYL 2-PYRIDYL, 4-CYCLOHEXYL-4-METHYL-3-THIOSEMICARBAZONESemicarbazide, 4-cyclohexyl-4-methyl-1-(1-(2-pyridyl)ethylidene)-3-thio-BRN 148023071555-19-6CHEMBL129127(1E)-1-(2-Pyridinyl)ethanone N-cyclohexyl-N-methylthiosemicarbazone1-cyclohexyl-1-methyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea
Database identifiers
- CAS
71555-19-6- PubChem CID
- 5366181
- ChEMBL
CHEMBL129127- Nikkaji
- J62.527B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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