N-(4-chlorophenyl)-N'-cyclohexylthiourea

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Basic information

CAS: 15863-33-9
Standard SMILES: S=C(Nc1ccc(Cl)cc1)NC1CCCCC1
InChIKey: ASHRQSXKUANWOC-UHFFFAOYSA-N
Molecular formula: C13H17ClN2S
Average molar mass: 268.81 g/mol
Monoisotopic mass: 268.0800974

Names & identifiers

Preferred name: N-(4-chlorophenyl)-N'-cyclohexylthiourea
IUPAC: 1-(4-chlorophenyl)-3-cyclohexylthiourea

Names & synonyms

15863-33-9N-(4-chlorophenyl)-N'-cyclohexylthioureaDTXSID60351787RefChem:361908DTXCID40302853Thiourea, N-(4-chlorophenyl)-N'-cyclohexyl-MLS000861724CHEMBL1332336SCHEMBL11697622ASHRQSXKUANWOC-UHFFFAOYSA-NHMS2806M14AKOS002248664

Show more names

1-Cyclohexyl-3-(p-chlorophenyl)thioureaSMR000460508ST50754433AB00046102-01[(4-chlorophenyl)amino](cyclohexylamino)methane-1-thione

Database identifiers

CAS: 15863-33-9
PubChem CID: 709206
DTXSID: DTXSID60351787
ChEMBL: CHEMBL1332336
Nikkaji: J2.295.081I

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 246

Experimental & physicochemical properties

Solubility4.4 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

4 records

New reaction record

HRID 148477As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 828708As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 2072441As reactantuspto-grants-1977_09

HRID 2072442As productuspto-grants-1977_09

Compound notes

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