1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea

C14H19ClN2S — CID 800427

IUPAC1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea
SMILESCc1cc(Cl)ccc1NC(=S)NC1CCCCC1
InChIInChI=1S/C14H19ClN2S/c1-10-9-11(15)7-8-13(10)17-14(18)16-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H2,16,17,18)
InChIKeyBZHIMQIZBJDLPX-UHFFFAOYSA-N
MW282.84 g/mol
LogP4.27
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea

1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea (PubChem CID 800427) has the molecular formula C14H19ClN2S and a molecular weight of 282.84 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea
PubChem CID800427
Molecular FormulaC14H19ClN2S
Molecular Weight282.84 g/mol
Exact Mass282.10
IUPAC Name1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea
SMILESCc1cc(Cl)ccc1NC(=S)NC1CCCCC1
InChIInChI=1S/C14H19ClN2S/c1-10-9-11(15)7-8-13(10)17-14(18)16-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H2,16,17,18)
InChIKeyBZHIMQIZBJDLPX-UHFFFAOYSA-N
XLogP4.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
1-cyclooctyl-3-(2,5-dimethylphenyl)thiourea
CID 19650520
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329
1-(3-chloro-2-methylphenyl)-3-cyclododecylthiourea
CID 2730972
1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea
CID 24614846
1-(2-adamantyl)-3-(4-chloro-2-methylphenyl)thiourea
CID 3584019
1-(3-chloro-4-fluorophenyl)-3-cycloheptylthiourea
CID 8669396
1-(2-chloro-4-methoxyphenyl)-3-cyclohexylthiourea
CID 5220485
3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103094
1-cyclopentyl-3-(2,3,4-trifluorophenyl)thiourea
CID 116507277
1-(4-bromo-2,3-dichlorophenyl)-3-cyclohexylthiourea
CID 107788670

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea (CID 800427) is 1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea is Cc1cc(Cl)ccc1NC(=S)NC1CCCCC1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea?
The InChIKey is BZHIMQIZBJDLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2S/c1-10-9-11(15)7-8-13(10)17-14(18)16-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea?
1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea has a molecular weight of 282.84 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea is sourced from PubChem (CID 800427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).