1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea

C15H14Cl2N2S — CID 53489424

IUPAC1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea
SMILESCc1cc(NC(=S)Nc2ccc(C)c(Cl)c2)ccc1Cl
InChIInChI=1S/C15H14Cl2N2S/c1-9-3-4-12(8-14(9)17)19-15(20)18-11-5-6-13(16)10(2)7-11/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyWPINXYXIQHRYQI-UHFFFAOYSA-N
MW325.26 g/mol
LogP5.42
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea

1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea (PubChem CID 53489424) has the molecular formula C15H14Cl2N2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea
PubChem CID53489424
Molecular FormulaC15H14Cl2N2S
Molecular Weight325.26 g/mol
Exact Mass324.03
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea
SMILESCc1cc(NC(=S)Nc2ccc(C)c(Cl)c2)ccc1Cl
InChIInChI=1S/C15H14Cl2N2S/c1-9-3-4-12(8-14(9)17)19-15(20)18-11-5-6-13(16)10(2)7-11/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyWPINXYXIQHRYQI-UHFFFAOYSA-N
XLogP5.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.26
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(3-chlorophenyl)thiourea
CID 5017952
1-(3-chloro-4-methylphenyl)-3-(4-propan-2-ylphenyl)thiourea
CID 17283512
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea
CID 53489418
1,3-bis(3,4-dichlorophenyl)thiourea
CID 4763349
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)thiourea
CID 17383573
1-(4-amino-3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)thiourea
CID 27000952
(4-chloro-3-methylphenyl)thiourea
CID 88635123
1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea
CID 4150337
1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)thiourea
CID 2212502
1-(3-chloro-4-methylphenyl)-3-(4-fluoro-2-methylphenyl)thiourea
CID 19679918
1-butan-2-yl-3-(3-chloro-4-methylphenyl)thiourea
CID 17263472
3-[(3-chloro-4-methylphenyl)carbamothioylamino]benzamide
CID 53489414

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea (CID 53489424) is 1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea is Cc1cc(NC(=S)Nc2ccc(C)c(Cl)c2)ccc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea?
The InChIKey is WPINXYXIQHRYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2S/c1-9-3-4-12(8-14(9)17)19-15(20)18-11-5-6-13(16)10(2)7-11/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea?
1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea has a molecular weight of 325.26 g/mol, XLogP of 5.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea is sourced from PubChem (CID 53489424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).