3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea

C17H20N2S — CID 71821638

IUPAC3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea
SMILESCCc1ccccc1NC(=S)N(C)c1ccc(C)cc1
InChIInChI=1S/C17H20N2S/c1-4-14-7-5-6-8-16(14)18-17(20)19(3)15-11-9-13(2)10-12-15/h5-12H,4H2,1-3H3,(H,18,20)
InChIKeySPWWEXSAIQHRNF-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.39
Rot. Bonds3

About 3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea

3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea (PubChem CID 71821638) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea
PubChem CID71821638
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea
SMILESCCc1ccccc1NC(=S)N(C)c1ccc(C)cc1
InChIInChI=1S/C17H20N2S/c1-4-14-7-5-6-8-16(14)18-17(20)19(3)15-11-9-13(2)10-12-15/h5-12H,4H2,1-3H3,(H,18,20)
InChIKeySPWWEXSAIQHRNF-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(2-ethylphenyl)thiourea
CID 3034485
2-(N-acetyl-4-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113167753
N-(2-ethylphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522737
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291
1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980952
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
2-[(2-ethylphenyl)carbamothioyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 8560831
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 134030305
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea?
The IUPAC name of 3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea (CID 71821638) is 3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea.
What is the SMILES notation for 3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea?
The canonical SMILES for 3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea is CCc1ccccc1NC(=S)N(C)c1ccc(C)cc1.
What is the InChIKey of 3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea?
The InChIKey is SPWWEXSAIQHRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-4-14-7-5-6-8-16(14)18-17(20)19(3)15-11-9-13(2)10-12-15/h5-12H,4H2,1-3H3,(H,18,20).
What are the key properties of 3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea?
3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea has a molecular weight of 284.43 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-1-methyl-1-(4-methylphenyl)thiourea is sourced from PubChem (CID 71821638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).