1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea

C19H22Cl2N2S — CID 19687856

IUPAC1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
SMILESCC(C)c1cccc(C(C)C)c1NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N2S/c1-11(2)14-6-5-7-15(12(3)4)18(14)23-19(24)22-17-9-8-13(20)10-16(17)21/h5-12H,1-4H3,(H2,22,23,24)
InChIKeyHUIGJTYRTHRZRL-UHFFFAOYSA-N
MW381.37 g/mol
LogP7.05
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea

1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea (PubChem CID 19687856) has the molecular formula C19H22Cl2N2S and a molecular weight of 381.37 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
PubChem CID19687856
Molecular FormulaC19H22Cl2N2S
Molecular Weight381.37 g/mol
Exact Mass380.09
IUPAC Name1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
SMILESCC(C)c1cccc(C(C)C)c1NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N2S/c1-11(2)14-6-5-7-15(12(3)4)18(14)23-19(24)22-17-9-8-13(20)10-16(17)21/h5-12H,1-4H3,(H2,22,23,24)
InChIKeyHUIGJTYRTHRZRL-UHFFFAOYSA-N
XLogP7.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.37
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)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

1-(2,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
CID 19687857
1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
CID 19687859
1-(3,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
CID 19687858
1-(2,4-dichlorophenyl)-3-(3,3-dimethylbutan-2-yl)thiourea
CID 19676369
1-(2,4-dichlorophenyl)-3-methylthiourea
CID 3310564
1-(2,4-dichlorophenyl)-3-phenylthiourea
CID 800229
1-(2,4-dichlorophenyl)-3-[(2R)-4-phenylbutan-2-yl]thiourea
CID 2454898
1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea
CID 19469263
1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19629930
1-(2,4-dichlorophenyl)-3-propylthiourea
CID 2281624
1-(2,6-dimethylphenyl)-3-(2-propan-2-ylphenyl)thiourea
CID 2421699
1-(2-chloro-4-fluorophenyl)-3-(2,6-dimethylphenyl)thiourea
CID 53489311

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea (CID 19687856) is 1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea is CC(C)c1cccc(C(C)C)c1NC(=S)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea?
The InChIKey is HUIGJTYRTHRZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2S/c1-11(2)14-6-5-7-15(12(3)4)18(14)23-19(24)22-17-9-8-13(20)10-16(17)21/h5-12H,1-4H3,(H2,22,23,24).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea?
1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea has a molecular weight of 381.37 g/mol, XLogP of 7.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea is sourced from PubChem (CID 19687856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).