1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea

C17H20N2S — CID 8659235

IUPAC1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea
SMILESCCc1ccc(NC(=S)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2S/c1-3-14-8-10-16(11-9-14)19-17(20)18-12-15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3,(H2,18,19,20)
InChIKeyGOYQQOJOUWLLMT-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.04
Rot. Bonds4

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

1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea (PubChem CID 8659235) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea
PubChem CID8659235
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea
SMILESCCc1ccc(NC(=S)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2S/c1-3-14-8-10-16(11-9-14)19-17(20)18-12-15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3,(H2,18,19,20)
InChIKeyGOYQQOJOUWLLMT-UHFFFAOYSA-N
XLogP4.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.04
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-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 3834758
1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea
CID 100611547
1-(4-ethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077073
1-[(4-methoxyphenyl)methyl]-3-[4-(4-methylphenoxy)phenyl]thiourea
CID 18290006
1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea
CID 58752896
2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9214150
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
1-(4-methylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea
CID 17283784
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]thiourea
CID 4533202
1-(4-ethylphenyl)-3-(4-hydroxyphenyl)thiourea
CID 23913156
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615053

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea?
The IUPAC name of 1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea (CID 8659235) is 1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea is CCc1ccc(NC(=S)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea?
The InChIKey is GOYQQOJOUWLLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-3-14-8-10-16(11-9-14)19-17(20)18-12-15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea?
1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea has a molecular weight of 284.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea is sourced from PubChem (CID 8659235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).