1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea

C13H16Cl2N2OS — CID 27024560

IUPAC1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea
SMILESOC1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2OS/c14-8-1-6-12(11(15)7-8)17-13(19)16-9-2-4-10(18)5-3-9/h1,6-7,9-10,18H,2-5H2,(H2,16,17,19)
InChIKeyXBGGZCOVVVMHIO-UHFFFAOYSA-N
MW319.26 g/mol
LogP3.58
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea

1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea (PubChem CID 27024560) has the molecular formula C13H16Cl2N2OS and a molecular weight of 319.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea
PubChem CID27024560
Molecular FormulaC13H16Cl2N2OS
Molecular Weight319.26 g/mol
Exact Mass318.04
IUPAC Name1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea
SMILESOC1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2OS/c14-8-1-6-12(11(15)7-8)17-13(19)16-9-2-4-10(18)5-3-9/h1,6-7,9-10,18H,2-5H2,(H2,16,17,19)
InChIKeyXBGGZCOVVVMHIO-UHFFFAOYSA-N
XLogP3.58
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(2,4-dichloroanilino)thiourea
CID 8769459
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxycyclohexyl)thiourea
CID 8669353
1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea
CID 92519812
N-cyclopropyl-N'-(2,4-dichlorophenyl)oxamide
CID 108502911
1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea
CID 23932184
1-(2,4-dichlorophenyl)-3-(2-methylcyclohexyl)thiourea
CID 4020555
1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
CID 51421854
1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea
CID 800427
1-(2,4-dichlorophenyl)-3-methylthiourea
CID 3310564
1-N-cyclopropyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043435
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882
1-(2,4-dichlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea
CID 4139413

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea (CID 27024560) is 1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea is OC1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea?
The InChIKey is XBGGZCOVVVMHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2OS/c14-8-1-6-12(11(15)7-8)17-13(19)16-9-2-4-10(18)5-3-9/h1,6-7,9-10,18H,2-5H2,(H2,16,17,19).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea?
1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea has a molecular weight of 319.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea is sourced from PubChem (CID 27024560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).