1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea

C15H14Cl2N2O2S — CID 5078814

IUPAC1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea
SMILESCOc1cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C15H14Cl2N2O2S/c1-20-11-5-10(6-12(8-11)21-2)19-15(22)18-9-3-4-13(16)14(17)7-9/h3-8H,1-2H3,(H2,18,19,22)
InChIKeyLLVNPHCMHNGQSD-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.82
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea

1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea (PubChem CID 5078814) has the molecular formula C15H14Cl2N2O2S and a molecular weight of 357.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea
PubChem CID5078814
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC Name1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea
SMILESCOc1cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C15H14Cl2N2O2S/c1-20-11-5-10(6-12(8-11)21-2)19-15(22)18-9-3-4-13(16)14(17)7-9/h3-8H,1-2H3,(H2,18,19,22)
InChIKeyLLVNPHCMHNGQSD-UHFFFAOYSA-N
XLogP4.82
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(3,4-dichlorophenyl)thiourea
CID 4763349
1-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19678008
1-[(3,4-dichlorobenzoyl)amino]-3-(3,5-dimethoxyphenyl)thiourea
CID 4535259
1-(3,5-dimethoxyphenyl)-3-(4-fluoro-3-methylphenyl)thiourea
CID 53365022
1-(4-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)thiourea
CID 19687608
2-(3,4-dichloroanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 4796501
1-(3,5-dimethoxyphenyl)-3-(3-propan-2-ylphenyl)thiourea
CID 53488693
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)thiourea
CID 17383573
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3,5-dimethoxyphenyl)thiourea
CID 19678591
1-(3,5-dimethoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 2955660
1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869425
1-[(2-chlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)thiourea
CID 800738

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea (CID 5078814) is 1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea is COc1cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea?
The InChIKey is LLVNPHCMHNGQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c1-20-11-5-10(6-12(8-11)21-2)19-15(22)18-9-3-4-13(16)14(17)7-9/h3-8H,1-2H3,(H2,18,19,22).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea?
1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea has a molecular weight of 357.26 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea is sourced from PubChem (CID 5078814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).