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

C15H15ClN2S — CID 797624

IUPAC1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2S/c1-11-4-2-3-5-14(11)18-15(19)17-10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyAKBBTWZOSWMKEN-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.14
Rot. Bonds3

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

1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea (PubChem CID 797624) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea
PubChem CID797624
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2S/c1-11-4-2-3-5-14(11)18-15(19)17-10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyAKBBTWZOSWMKEN-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-(2-methylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077085
1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 2444446
1-benzyl-3-(2,3-dimethylphenyl)thiourea
CID 799294
1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 3834758
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
1-benzyl-3-(2-methylanilino)thiourea
CID 8655750
1-(5-chloro-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]thiourea
CID 17297940
1-[(E)-[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylideneamino]-3-(2-methylphenyl)thiourea
CID 46372066
1-[(2-bromophenyl)methyl]-3-(4-chloro-2-methylphenyl)thiourea
CID 3482975
2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086762
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001
N,N'-bis[(4-chlorophenyl)methyl]ethanedithioamide
CID 3033254

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea (CID 797624) is 1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea is Cc1ccccc1NC(=S)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea?
The InChIKey is AKBBTWZOSWMKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-11-4-2-3-5-14(11)18-15(19)17-10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea?
1-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)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-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 797624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).