1-Benzyl-3-cyclohexyl-1-propan-2-ylthiourea
Basic information
- CAS
482282-84-8- Standard SMILES
CC(C)N(Cc1ccccc1)C(=S)NC1CCCCC1- InChIKey
VGUZGFGEFYFGFT-UHFFFAOYSA-N- Molecular formula
- C17H26N2S
- Average molar mass
- 290.5 g/mol
- Monoisotopic mass
- 290.18167001
Names & identifiers
- Preferred name
- 1-Benzyl-3-cyclohexyl-1-propan-2-ylthiourea
- IUPAC
- 1-benzyl-3-cyclohexyl-1-propan-2-ylthiourea
Names & synonyms
1-benzyl-3-cyclohexyl-1-propan-2-ylthioureaMLS001033857482282-84-8SMR000385743N-BENZYL-N'-CYCLOHEXYL-N-ISOPROPYLTHIOUREAcid_714760CHEMBL1391930BDBM32959DTXSID201333602HMS2710C09STK773514AKOS001048704
Show more names
1-benzyl-3-cyclohexyl-1-isopropyl-thioureaST4092810N-Benzyl-N'-cyclohexyl-N-propan-2-ylthioureaN-benzyl-N'-cyclohexyl-N-(propan-2-yl)thiourea3-cyclohexyl-1-(phenylmethyl)-1-propan-2-yl-thiourea3-cyclohexyl-1-(phenylmethyl)-1-propan-2-ylthioureaZ45770548(cyclohexylamino)[(methylethyl)benzylamino]methane-1-thione
Database identifiers
- CAS
482282-84-8- PubChem CID
- 714760
- DTXSID
DTXSID201333602- ChEMBL
CHEMBL1391930
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Experimental & physicochemical properties
Solubility13.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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