1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea

C14H20N2OS — CID 24614846

IUPAC1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC2CCCCC2)c(O)c1
InChIInChI=1S/C14H20N2OS/c1-10-7-8-12(13(17)9-10)16-14(18)15-11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H2,15,16,18)
InChIKeySNLKFXNOKWANSA-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.32
Rot. Bonds2

About 1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea

1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea (PubChem CID 24614846) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea
PubChem CID24614846
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC2CCCCC2)c(O)c1
InChIInChI=1S/C14H20N2OS/c1-10-7-8-12(13(17)9-10)16-14(18)15-11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H2,15,16,18)
InChIKeySNLKFXNOKWANSA-UHFFFAOYSA-N
XLogP3.32
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclooctyl-3-(2,5-dimethylphenyl)thiourea
CID 19650520
methyl 4-(cyclohexylcarbamothioylamino)-3-hydroxybenzoate
CID 108783587
1-cyclooctyl-3-(3,5-dimethylphenyl)thiourea
CID 19650518
1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea
CID 800427
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
1-(3-chloro-2-methylphenyl)-3-cyclododecylthiourea
CID 2730972
1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea
CID 23932184
1-cyclooctyl-3-(2,4-dimethoxyphenyl)thiourea
CID 19650524
1-(3-chloro-2-hydroxyphenyl)-3-cyclohexylthiourea
CID 87656204
1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea
CID 135731260
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea (CID 24614846) is 1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea is Cc1ccc(NC(=S)NC2CCCCC2)c(O)c1.
What is the InChIKey of 1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea?
The InChIKey is SNLKFXNOKWANSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-7-8-12(13(17)9-10)16-14(18)15-11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H2,15,16,18).
What are the key properties of 1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea?
1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea has a molecular weight of 264.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea is sourced from PubChem (CID 24614846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).