1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea

C19H24N2S — CID 7939289

IUPAC1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea
SMILESCC(C)(C)c1ccccc1NC(=S)NCCc1ccccc1
InChIInChI=1S/C19H24N2S/c1-19(2,3)16-11-7-8-12-17(16)21-18(22)20-14-13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H2,20,21,22)
InChIKeyDHNGTRPBJQWDLE-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.51
Rot. Bonds4

About 1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea

1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea (PubChem CID 7939289) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea
PubChem CID7939289
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea
SMILESCC(C)(C)c1ccccc1NC(=S)NCCc1ccccc1
InChIInChI=1S/C19H24N2S/c1-19(2,3)16-11-7-8-12-17(16)21-18(22)20-14-13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H2,20,21,22)
InChIKeyDHNGTRPBJQWDLE-UHFFFAOYSA-N
XLogP4.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.51
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-benzyl-3-(2-tert-butylphenyl)thiourea
CID 2333098
1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea
CID 2298907
1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea
CID 2349997
1-(2-methylphenyl)-3-(2-phenylethylcarbamothioylamino)thiourea
CID 8618240
1-N'-(2-tert-butylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977143
1-(2-methylbutan-2-yl)-3-(2-phenylethyl)thiourea
CID 19652822
2-tert-butyl-N-(3-phenylpropyl)aniline
CID 39366741
1-(2-tert-butylphenyl)-3-(2-fluorophenyl)thiourea
CID 4662222
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea
CID 2166227
1-(2-tert-butylphenyl)-3-[(4-methoxyphenyl)methyl]thiourea
CID 8627741
1-(2-chloro-4-methylphenyl)-3-(2-phenylethyl)thiourea
CID 3419459

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea (CID 7939289) is 1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea is CC(C)(C)c1ccccc1NC(=S)NCCc1ccccc1.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea?
The InChIKey is DHNGTRPBJQWDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-19(2,3)16-11-7-8-12-17(16)21-18(22)20-14-13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea?
1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea has a molecular weight of 312.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 7939289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).