N-(2-(1-Cyclohexenyl)ethyl)-N'-[2-pyridyl]thiourea
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Basic information
- Standard SMILES
S=C(NCCC1=CCCCC1)Nc1ccccn1- InChIKey
HZOWTXNEZRCEHU-UHFFFAOYSA-N- Molecular formula
- C14H19N3S
- Average molar mass
- 261.39 g/mol
- Monoisotopic mass
- 261.12996879
Names & identifiers
- Preferred name
- N-(2-(1-Cyclohexenyl)ethyl)-N'-[2-pyridyl]thiourea
- IUPAC
- 1-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-ylthiourea
Names & synonyms
SCHEMBL6950122HZOWTXNEZRCEHU-UHFFFAOYSA-NHI-5411-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridyl)thioureaN-(2-(1-Cyclohexenyl)ethyl)-N'-[2-pyridyl]thiourea1-(2-Cyclohex-1-enyl-ethyl)-3-pyridin-2-yl-thiourea-N-(2-(1-Cyclohexenyl)ethyl)-N'-[2-pyridyl] thiourea
Database identifiers
- PubChem CID
- 3000476
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
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Related reactions
4 records
Compound notes
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