[4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea

C14H12Cl2N2OS — CID 134113307

IUPAC[4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea
SMILESCOc1cc(NC(N)=S)ccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c1-19-13-7-9(18-14(17)20)3-4-10(13)11-6-8(15)2-5-12(11)16/h2-7H,1H3,(H3,17,18,20)
InChIKeyUFTXPDQDSSHUIZ-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.32
Rot. Bonds3

About [4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea

[4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea (PubChem CID 134113307) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea
PubChem CID134113307
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name[4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea
SMILESCOc1cc(NC(N)=S)ccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c1-19-13-7-9(18-14(17)20)3-4-10(13)11-6-8(15)2-5-12(11)16/h2-7H,1H3,(H3,17,18,20)
InChIKeyUFTXPDQDSSHUIZ-UHFFFAOYSA-N
XLogP4.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(2,5-dichlorophenyl)-3-methoxyphenyl]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

(4-hydroxy-3-methoxyphenyl)thiourea
CID 57183601
(4-chloro-3-methylphenyl)thiourea
CID 88635123
4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 90455887
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
5-chloro-N-(4-chlorophenyl)-2-methoxybenzenecarbothioamide
CID 70682730
3-amino-N-(4-fluoro-3-methoxyphenyl)-3-sulfanylidenepropanamide
CID 114839886
(3-methoxy-4-sulfamoylphenyl)thiourea
CID 169359137
1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489208
(3,4,5-trimethoxyphenyl)thiourea
CID 2760811
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
(3-chlorophenyl)thiourea
CID 2734794
1-[(2,4-dichlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)thiourea
CID 3676997

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea?
The IUPAC name of [4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea (CID 134113307) is [4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea.
What is the SMILES notation for [4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea?
The canonical SMILES for [4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea is COc1cc(NC(N)=S)ccc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of [4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea?
The InChIKey is UFTXPDQDSSHUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c1-19-13-7-9(18-14(17)20)3-4-10(13)11-6-8(15)2-5-12(11)16/h2-7H,1H3,(H3,17,18,20).
What are the key properties of [4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea?
[4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea has a molecular weight of 327.24 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)-3-methoxyphenyl]thiourea is sourced from PubChem (CID 134113307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).