1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea

C13H10Cl2N2OS — CID 87655959

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea
SMILESOc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N2OS/c14-8-1-4-10(5-2-8)16-13(19)17-11-7-9(15)3-6-12(11)18/h1-7,18H,(H2,16,17,19)
InChIKeyUMFFOFSQYWCUOS-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.51
Rot. Bonds2

About 1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea

1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea (PubChem CID 87655959) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea
PubChem CID87655959
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea
SMILESOc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N2OS/c14-8-1-4-10(5-2-8)16-13(19)17-11-7-9(15)3-6-12(11)18/h1-7,18H,(H2,16,17,19)
InChIKeyUMFFOFSQYWCUOS-UHFFFAOYSA-N
XLogP4.51
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.51
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'}

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Related Compounds

N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598
1-tert-butyl-3-(5-chloro-2-hydroxyphenyl)thiourea
CID 87653917
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamothioylamino]-4-methylphenyl]thiourea
CID 6481333
1-(4-chlorophenyl)-3-(3,5-difluoro-4-hydroxyphenyl)thiourea
CID 87654754
1-(2,5-dichlorophenyl)-3-(4-propan-2-ylphenyl)thiourea
CID 17263553
1-(5-chloro-2-hydroxyphenyl)-3-(2-nitrophenyl)thiourea
CID 127594666
1-(4-chlorophenyl)-3-(3,5-dichloro-2-hydroxy-4-methylphenyl)thiourea
CID 87654577
1-(4-bromophenyl)-3-[4-[(4-chlorophenyl)carbamothioylamino]phenyl]thiourea
CID 18982691
1-(2,4-dichlorophenyl)-3-phenylthiourea
CID 800229
1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea
CID 124749200
1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 910357
2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 4942210

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea (CID 87655959) is 1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea is Oc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea?
The InChIKey is UMFFOFSQYWCUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c14-8-1-4-10(5-2-8)16-13(19)17-11-7-9(15)3-6-12(11)18/h1-7,18H,(H2,16,17,19).
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea?
1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea has a molecular weight of 313.21 g/mol, XLogP of 4.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea is sourced from PubChem (CID 87655959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).