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

C17H20N2S — CID 92766117

IUPAC1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea
SMILESCc1ccc(NC(=S)NCc2ccccc2C)c(C)c1
InChIInChI=1S/C17H20N2S/c1-12-8-9-16(14(3)10-12)19-17(20)18-11-15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyIWZPMTPJKYKNHH-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.10
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea (PubChem CID 92766117) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea
PubChem CID92766117
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea
SMILESCc1ccc(NC(=S)NCc2ccccc2C)c(C)c1
InChIInChI=1S/C17H20N2S/c1-12-8-9-16(14(3)10-12)19-17(20)18-11-15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyIWZPMTPJKYKNHH-UHFFFAOYSA-N
XLogP4.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.10
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-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)thiourea
CID 799681
1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 899237
1-(2,4-dimethylphenyl)-3-[(2-ethoxyphenyl)methyl]thiourea
CID 94494107
1-(3,4-difluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]thiourea
CID 87656405
1-N'-(2,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974963
1-[(2-bromophenyl)methyl]-3-(4-chloro-2-methylphenyl)thiourea
CID 3482975
1-(2,4-dimethylphenyl)-3-(2-methylprop-2-enyl)thiourea
CID 15113012
1-(2,4-dimethylphenyl)-3-(N-phenylanilino)thiourea
CID 23962874
1-[(2-bromophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 108897860
1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea
CID 100744632
1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19325118
1-(2,4-dimethylphenyl)-3-(2-methoxypropyl)thiourea
CID 102700047

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea (CID 92766117) is 1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea is Cc1ccc(NC(=S)NCc2ccccc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea?
The InChIKey is IWZPMTPJKYKNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12-8-9-16(14(3)10-12)19-17(20)18-11-15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea?
1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea has a molecular weight of 284.43 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea is sourced from PubChem (CID 92766117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).