1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea

C13H8Cl4N2OS — CID 87654899

IUPAC1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea
SMILESOc1c(Cl)cc(Cl)cc1NC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8Cl4N2OS/c14-6-1-7(15)3-9(2-6)18-13(21)19-11-5-8(16)4-10(17)12(11)20/h1-5,20H,(H2,18,19,21)
InChIKeyABFPBZQYAUWYPT-UHFFFAOYSA-N
MW382.10 g/mol
LogP5.81
Rot. Bonds2

About 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea

1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea (PubChem CID 87654899) has the molecular formula C13H8Cl4N2OS and a molecular weight of 382.10 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea.

Molecular Properties

Compound Name1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea
PubChem CID87654899
Molecular FormulaC13H8Cl4N2OS
Molecular Weight382.10 g/mol
Exact Mass379.91
IUPAC Name1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea
SMILESOc1c(Cl)cc(Cl)cc1NC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8Cl4N2OS/c14-6-1-7(15)3-9(2-6)18-13(21)19-11-5-8(16)4-10(17)12(11)20/h1-5,20H,(H2,18,19,21)
InChIKeyABFPBZQYAUWYPT-UHFFFAOYSA-N
XLogP5.81
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.10
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dichlorophenyl)-3-(3,5-difluoro-4-hydroxyphenyl)thiourea
CID 87655156
1-[3-chloro-4-hydroxy-5-(1-hydroxyethyl)phenyl]-3-(3,5-dichlorophenyl)thiourea
CID 87656382
1-(4-chloro-2,5-dimethoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 17300163
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5197935
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5012399
1-[2-(4-chloroanilino)-5-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]-3-(3,5-dichlorophenyl)thiourea
CID 10122211
N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 1395879
N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954830
1-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxy-4-methylphenyl)thiourea
CID 87654577
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 103891250
1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea
CID 87655959

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea?
The IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea (CID 87654899) is 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea.
What is the SMILES notation for 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea?
The canonical SMILES for 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea is Oc1c(Cl)cc(Cl)cc1NC(=S)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea?
The InChIKey is ABFPBZQYAUWYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2OS/c14-6-1-7(15)3-9(2-6)18-13(21)19-11-5-8(16)4-10(17)12(11)20/h1-5,20H,(H2,18,19,21).
What are the key properties of 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea?
1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea has a molecular weight of 382.10 g/mol, XLogP of 5.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,5-dichlorophenyl)thiourea is sourced from PubChem (CID 87654899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).