[3-chloro-4-(3-chlorophenoxy)phenyl]thiourea

C13H10Cl2N2OS — CID 169357493

IUPAC[3-chloro-4-(3-chlorophenoxy)phenyl]thiourea
SMILESNC(=S)Nc1ccc(Oc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2OS/c14-8-2-1-3-10(6-8)18-12-5-4-9(7-11(12)15)17-13(16)19/h1-7H,(H3,16,17,19)
InChIKeyHXTYEGGYEZWFFK-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.44
Rot. Bonds3

About [3-chloro-4-(3-chlorophenoxy)phenyl]thiourea

[3-chloro-4-(3-chlorophenoxy)phenyl]thiourea (PubChem CID 169357493) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is [3-chloro-4-(3-chlorophenoxy)phenyl]thiourea.

Molecular Properties

Compound Name[3-chloro-4-(3-chlorophenoxy)phenyl]thiourea
PubChem CID169357493
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC Name[3-chloro-4-(3-chlorophenoxy)phenyl]thiourea
SMILESNC(=S)Nc1ccc(Oc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2OS/c14-8-2-1-3-10(6-8)18-12-5-4-9(7-11(12)15)17-13(16)19/h1-7H,(H3,16,17,19)
InChIKeyHXTYEGGYEZWFFK-UHFFFAOYSA-N
XLogP4.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-chloro-4-(3-chlorophenoxy)phenyl]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

(3-chlorophenyl)thiourea
CID 2734794
5-chloro-2-(3-chlorophenoxy)benzenecarbothioamide
CID 63520511
[4-(2-chlorophenoxy)phenyl]thiourea
CID 13275077
1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea
CID 19677525
1,2,4-trichloro-5-(3-chlorophenoxy)benzene
CID 23274709
5-bromo-2-(3-chlorophenoxy)benzenecarbothioamide
CID 114892206
1-carbamothioyl-3-(3-chlorophenyl)thiourea
CID 12932383
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
3-[[4-[3-chloro-4-(3-chlorophenoxy)anilino]pyrimidin-2-yl]amino]benzamide;hydrochloride
CID 44532669
3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
2-(3-chlorophenoxy)-6-fluorobenzenecarbothioamide
CID 79519511
1-(3-chloro-4-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 53489432

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(3-chlorophenoxy)phenyl]thiourea?
The IUPAC name of [3-chloro-4-(3-chlorophenoxy)phenyl]thiourea (CID 169357493) is [3-chloro-4-(3-chlorophenoxy)phenyl]thiourea.
What is the SMILES notation for [3-chloro-4-(3-chlorophenoxy)phenyl]thiourea?
The canonical SMILES for [3-chloro-4-(3-chlorophenoxy)phenyl]thiourea is NC(=S)Nc1ccc(Oc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(3-chlorophenoxy)phenyl]thiourea?
The InChIKey is HXTYEGGYEZWFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c14-8-2-1-3-10(6-8)18-12-5-4-9(7-11(12)15)17-13(16)19/h1-7H,(H3,16,17,19).
What are the key properties of [3-chloro-4-(3-chlorophenoxy)phenyl]thiourea?
[3-chloro-4-(3-chlorophenoxy)phenyl]thiourea has a molecular weight of 313.21 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(3-chlorophenoxy)phenyl]thiourea is sourced from PubChem (CID 169357493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).