Basic information
- CAS
14122-43-1- Standard SMILES
CC(C)NC(=NC1CCCCC1)SCc1ccccc1.Cl- InChIKey
KDLUCVAMRKFHKR-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2S
- Average molar mass
- 326.9 g/mol
- Monoisotopic mass
- 326.1583477
Names & identifiers
- Preferred name
- Pseudourea, 2-benzyl-1-cyclohexyl-3-isopropyl-2-thio-, hydrochloride
- IUPAC
- benzyl N'-cyclohexyl-N-propan-2-ylcarbamimidothioate;hydrochloride
Names & synonyms
Pseudourea, 2-benzyl-1-cyclohexyl-3-isopropyl-2-thio-, hydrochloride2-Benzyl-1-cyclohexyl-3-isopropyl-2-thiopseudourea hydrochloride14122-43-1DTXSID60161606RefChem:375765DTXCID7084097Benzyl N'-cyclohexyl-N-(propan-2-yl)carbamimidothioate--hydrogen chloride (1/1)
Database identifiers
- CAS
14122-43-1- PubChem CID
- 203293
- DTXSID
DTXSID60161606
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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