1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea

C15H15ClN2S — CID 2444446

IUPAC1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
SMILESCc1ccc(CNC(=S)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2S/c1-11-6-8-12(9-7-11)10-17-15(19)18-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyOUWYGWZAJDPFLL-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.14
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea

1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea (PubChem CID 2444446) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
PubChem CID2444446
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
SMILESCc1ccc(CNC(=S)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2S/c1-11-6-8-12(9-7-11)10-17-15(19)18-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyOUWYGWZAJDPFLL-UHFFFAOYSA-N
XLogP4.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.14
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-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea
CID 797624
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
1-(2-chlorophenyl)-3-[2-(N,4-dimethylanilino)ethyl]thiourea
CID 100753704
1-N-(2-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135516
1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 94494667
1-(2-chloro-4-methylphenyl)-3-[(3,4-dichlorophenyl)methyl]thiourea
CID 3696385
1-(2-chloro-4-methylphenyl)-3-[[4-(dimethylamino)phenyl]methyl]thiourea
CID 3546716
1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea
CID 148551338
1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 3834758
1-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]thiourea
CID 19649413
1-benzyl-3-(2-chloroanilino)thiourea
CID 3585769
1-[(2-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)thiourea
CID 799681

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea (CID 2444446) is 1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea is Cc1ccc(CNC(=S)Nc2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea?
The InChIKey is OUWYGWZAJDPFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-11-6-8-12(9-7-11)10-17-15(19)18-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea?
1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea has a molecular weight of 290.82 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea is sourced from PubChem (CID 2444446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).