1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea

C15H14Cl2N2OS — CID 53489208

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea
SMILESCOc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)c(C)c1
InChIInChI=1S/C15H14Cl2N2OS/c1-9-7-11(4-5-12(9)17)18-15(21)19-13-8-10(16)3-6-14(13)20-2/h3-8H,1-2H3,(H2,18,19,21)
InChIKeyCKEUPUAZJLGLGY-UHFFFAOYSA-N
MW341.26 g/mol
LogP5.12
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea

1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea (PubChem CID 53489208) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea
PubChem CID53489208
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea
SMILESCOc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)c(C)c1
InChIInChI=1S/C15H14Cl2N2OS/c1-9-7-11(4-5-12(9)17)18-15(21)19-13-8-10(16)3-6-14(13)20-2/h3-8H,1-2H3,(H2,18,19,21)
InChIKeyCKEUPUAZJLGLGY-UHFFFAOYSA-N
XLogP5.12
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.26
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5197935
1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 17283684
1-(5-chloro-2-methoxyphenyl)-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 17299503
1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 972689
1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea
CID 19676032
1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 46924090
1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489424
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-methylphenyl)thiourea
CID 29175690
1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea
CID 19677525
N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide
CID 108955242
1-(5-chloro-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]thiourea
CID 17297940
1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea
CID 976876

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea (CID 53489208) is 1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea is COc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea?
The InChIKey is CKEUPUAZJLGLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c1-9-7-11(4-5-12(9)17)18-15(21)19-13-8-10(16)3-6-14(13)20-2/h3-8H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea?
1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea has a molecular weight of 341.26 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea is sourced from PubChem (CID 53489208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).