1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea

C14H12Cl2N2OS — CID 19677525

IUPAC1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c1-19-13-6-5-11(8-12(13)16)18-14(20)17-10-4-2-3-9(15)7-10/h2-8H,1H3,(H2,17,18,20)
InChIKeyFFGLUYHSYKQLPS-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.81
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea

1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea (PubChem CID 19677525) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea
PubChem CID19677525
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c1-19-13-6-5-11(8-12(13)16)18-14(20)17-10-4-2-3-9(15)7-10/h2-8H,1H3,(H2,17,18,20)
InChIKeyFFGLUYHSYKQLPS-UHFFFAOYSA-N
XLogP4.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.81
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-(3-chloro-4-methoxyphenyl)-3-(3-methylphenyl)thiourea
CID 19677523
1-(3-chloro-4-methoxyphenyl)-3-(2,6-dimethylphenyl)thiourea
CID 42993028
1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea
CID 976876
1-(3-chloro-4-methylphenyl)-3-(3-chlorophenyl)thiourea
CID 5017952
1-(3-chloro-4-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 53489432
1-(3-chloro-4-methoxyphenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800265
N-(3-chloro-4-methoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316669
1-(3-chloro-4-methoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
CID 100709255
1-(3-chloro-4-methoxyphenyl)-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiourea
CID 100762709
1-carbamothioyl-3-(3-chlorophenyl)thiourea
CID 12932383
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489208

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea (CID 19677525) is 1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea is COc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea?
The InChIKey is FFGLUYHSYKQLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c1-19-13-6-5-11(8-12(13)16)18-14(20)17-10-4-2-3-9(15)7-10/h2-8H,1H3,(H2,17,18,20).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea?
1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea has a molecular weight of 327.24 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea is sourced from PubChem (CID 19677525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).