1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea

C14H11Cl3N2OS — CID 5197935

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
SMILESCOc1ccc(Cl)cc1NC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11Cl3N2OS/c1-20-13-3-2-8(15)7-12(13)19-14(21)18-11-5-9(16)4-10(17)6-11/h2-7H,1H3,(H2,18,19,21)
InChIKeyMRUAYRFTLRZXCG-UHFFFAOYSA-N
MW361.68 g/mol
LogP5.46
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea

1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea (PubChem CID 5197935) has the molecular formula C14H11Cl3N2OS and a molecular weight of 361.68 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
PubChem CID5197935
Molecular FormulaC14H11Cl3N2OS
Molecular Weight361.68 g/mol
Exact Mass359.97
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
SMILESCOc1ccc(Cl)cc1NC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11Cl3N2OS/c1-20-13-3-2-8(15)7-12(13)19-14(21)18-11-5-9(16)4-10(17)6-11/h2-7H,1H3,(H2,18,19,21)
InChIKeyMRUAYRFTLRZXCG-UHFFFAOYSA-N
XLogP5.46
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.68
LogP ≤ 55.46
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-(4-chloro-3-methylphenyl)thiourea
CID 53489208
1-(4-chloro-2,5-dimethoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 17300163
1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 17283684
1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea
CID 976876
1-(5-chloro-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]thiourea
CID 17297940
1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 46924090
1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19629930
1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea
CID 19676032
1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 972689
1-(3,5-dichlorophenyl)-3-(4-methoxy-2-methylphenyl)thiourea
CID 19678141
1-(5-chloro-2-methoxyphenyl)-3-pentan-2-ylthiourea
CID 19652321
1-(3,5-dichlorophenyl)-3-[3-[(3,5-dichlorophenyl)methoxy]-4-methoxyphenyl]thiourea
CID 10228881

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea (CID 5197935) is 1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea is COc1ccc(Cl)cc1NC(=S)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea?
The InChIKey is MRUAYRFTLRZXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2OS/c1-20-13-3-2-8(15)7-12(13)19-14(21)18-11-5-9(16)4-10(17)6-11/h2-7H,1H3,(H2,18,19,21).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea?
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea has a molecular weight of 361.68 g/mol, XLogP of 5.46, 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-(3,5-dichlorophenyl)thiourea is sourced from PubChem (CID 5197935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).