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

C19H24N2S — CID 100744632

IUPAC1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea
SMILESCC[C@@H](NC(=S)Nc1ccc(C)cc1C)c1ccccc1C
InChIInChI=1S/C19H24N2S/c1-5-17(16-9-7-6-8-14(16)3)20-19(22)21-18-11-10-13(2)12-15(18)4/h6-12,17H,5H2,1-4H3,(H2,20,21,22)/t17-/m1/s1
InChIKeyYSYFDSULHAOWMQ-QGZVFWFLSA-N
MW312.48 g/mol
LogP5.05
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea (PubChem CID 100744632) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea
PubChem CID100744632
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea
SMILESCC[C@@H](NC(=S)Nc1ccc(C)cc1C)c1ccccc1C
InChIInChI=1S/C19H24N2S/c1-5-17(16-9-7-6-8-14(16)3)20-19(22)21-18-11-10-13(2)12-15(18)4/h6-12,17H,5H2,1-4H3,(H2,20,21,22)/t17-/m1/s1
InChIKeyYSYFDSULHAOWMQ-QGZVFWFLSA-N
XLogP5.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.05
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-[(1S)-1-(2,4-dimethylphenyl)propyl]-3-(2-ethoxyphenyl)thiourea
CID 100732266
1-[(2R)-butan-2-yl]-3-(2,4-dimethylphenyl)thiourea
CID 2363033
1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675375
ethyl 4-[[(1S)-1-(2,4-dimethylphenyl)propyl]carbamothioylamino]-3-methylbenzoate
CID 100732969
1-(4-bromo-3-methylphenyl)-3-[1-(2-methylphenyl)propyl]thiourea
CID 133218044
1-(3-bromophenyl)-3-[1-(2-methylphenyl)propyl]thiourea
CID 133218028
1-(2,6-difluorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)propyl]thiourea
CID 100732775
1-(3-fluorophenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea
CID 100745009
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2-methylphenyl)propyl]acetamide
CID 100759976
1-[(1S)-1-(2-methylphenyl)propyl]-3-(4-propan-2-ylphenyl)thiourea
CID 100744697
1-(2,4-dimethylphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 99643588
methyl 2-methyl-3-[[(1S)-1-(2-methylphenyl)propyl]carbamothioylamino]benzoate
CID 100745114

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea (CID 100744632) is 1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea is CC[C@@H](NC(=S)Nc1ccc(C)cc1C)c1ccccc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea?
The InChIKey is YSYFDSULHAOWMQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2S/c1-5-17(16-9-7-6-8-14(16)3)20-19(22)21-18-11-10-13(2)12-15(18)4/h6-12,17H,5H2,1-4H3,(H2,20,21,22)/t17-/m1/s1.
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea?
1-(2,4-dimethylphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]thiourea has a molecular weight of 312.48 g/mol, XLogP of 5.05, 4 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-[(1R)-1-(2-methylphenyl)propyl]thiourea is sourced from PubChem (CID 100744632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).