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

C19H24N2S — CID 100611547

IUPAC1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea
SMILESCCc1ccc(NC(=S)NCCCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2S/c1-3-16-10-12-18(13-11-16)21-19(22)20-14-4-5-17-8-6-15(2)7-9-17/h6-13H,3-5,14H2,1-2H3,(H2,20,21,22)
InChIKeyNQPRZBBCYCCGRU-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.48
Rot. Bonds6

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

1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea (PubChem CID 100611547) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea
PubChem CID100611547
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea
SMILESCCc1ccc(NC(=S)NCCCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2S/c1-3-16-10-12-18(13-11-16)21-19(22)20-14-4-5-17-8-6-15(2)7-9-17/h6-13H,3-5,14H2,1-2H3,(H2,20,21,22)
InChIKeyNQPRZBBCYCCGRU-UHFFFAOYSA-N
XLogP4.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100611927
1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 8659235
1-dodecyl-3-(4-ethylphenyl)thiourea
CID 19651364
1-(3-bromophenyl)-3-[3-(4-methylphenyl)propyl]thiourea
CID 100611367
1-(4-methylphenyl)-3-(3-methylsulfanylpropyl)thiourea
CID 2446999
1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea
CID 100614936
3-[(4-ethylphenyl)carbamothioylamino]propanoic acid
CID 3008620
1-(4-bromophenyl)-3-[3-(4-chlorophenyl)propyl]thiourea
CID 100672550
1-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-methylphenyl)thiourea
CID 23821363
2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9214150
1-(4-methylphenyl)-3-(6-oxoheptyl)thiourea
CID 144635963
1-(4-methylphenyl)-3-(2-phenylethylcarbamothioylamino)thiourea
CID 8001105

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea?
The IUPAC name of 1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea (CID 100611547) is 1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea is CCc1ccc(NC(=S)NCCCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea?
The InChIKey is NQPRZBBCYCCGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-3-16-10-12-18(13-11-16)21-19(22)20-14-4-5-17-8-6-15(2)7-9-17/h6-13H,3-5,14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea?
1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea has a molecular weight of 312.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea is sourced from PubChem (CID 100611547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).