1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea

C18H22N2S — CID 19675375

IUPAC1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
SMILESCCC(NC(=S)Nc1ccccc1C)c1ccc(C)cc1
InChIInChI=1S/C18H22N2S/c1-4-16(15-11-9-13(2)10-12-15)19-18(21)20-17-8-6-5-7-14(17)3/h5-12,16H,4H2,1-3H3,(H2,19,20,21)
InChIKeyYYPYSGPGZXLALK-UHFFFAOYSA-N
MW298.46 g/mol
LogP4.74
Rot. Bonds4

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

1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea (PubChem CID 19675375) has the molecular formula C18H22N2S and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
PubChem CID19675375
Molecular FormulaC18H22N2S
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC Name1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
SMILESCCC(NC(=S)Nc1ccccc1C)c1ccc(C)cc1
InChIInChI=1S/C18H22N2S/c1-4-16(15-11-9-13(2)10-12-15)19-18(21)20-17-8-6-5-7-14(17)3/h5-12,16H,4H2,1-3H3,(H2,19,20,21)
InChIKeyYYPYSGPGZXLALK-UHFFFAOYSA-N
XLogP4.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 54.74
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-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675396
1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea
CID 100744632
1-(3,4-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675395
1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675461
1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea
CID 8657365
1-[1-(4-methylphenyl)propyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 133215492
1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 7775056
1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea
CID 100651617
1-(4-bromo-3-methylphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 100650374
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-3-(2,5-dimethylphenyl)thiourea
CID 100733459
1-benzhydryl-3-(2-methylphenyl)thiourea
CID 8615084
1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693807

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea?
The IUPAC name of 1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea (CID 19675375) is 1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea?
The canonical SMILES for 1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea is CCC(NC(=S)Nc1ccccc1C)c1ccc(C)cc1.
What is the InChIKey of 1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea?
The InChIKey is YYPYSGPGZXLALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-4-16(15-11-9-13(2)10-12-15)19-18(21)20-17-8-6-5-7-14(17)3/h5-12,16H,4H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea?
1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea has a molecular weight of 298.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea is sourced from PubChem (CID 19675375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).