1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea

C15H24N2OS — CID 4665147

IUPAC1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea
SMILESCCCCc1ccc(NC(=S)NCCOCC)cc1
InChIInChI=1S/C15H24N2OS/c1-3-5-6-13-7-9-14(10-8-13)17-15(19)16-11-12-18-4-2/h7-10H,3-6,11-12H2,1-2H3,(H2,16,17,19)
InChIKeyLXTJCGJRHWHOIE-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.35
Rot. Bonds8

About 1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea

1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea (PubChem CID 4665147) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea
PubChem CID4665147
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea
SMILESCCCCc1ccc(NC(=S)NCCOCC)cc1
InChIInChI=1S/C15H24N2OS/c1-3-5-6-13-7-9-14(10-8-13)17-15(19)16-11-12-18-4-2/h7-10H,3-6,11-12H2,1-2H3,(H2,16,17,19)
InChIKeyLXTJCGJRHWHOIE-UHFFFAOYSA-N
XLogP3.35
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-butylphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684446
1-(4-butylphenyl)-3-(dimethylamino)thiourea
CID 8626030
1-(4-butylphenyl)-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea
CID 8618159
1-(4-butylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 2192072
1-dodecyl-3-(4-ethylphenyl)thiourea
CID 19651364
2-[4-[(4-butylphenyl)carbamothioylamino]phenyl]acetic acid
CID 19649094
N-[(4-butylphenyl)carbamothioyl]propanamide
CID 4281226
1-(4-butylphenyl)-3-(3,5-difluorophenyl)thiourea
CID 53488849
1-(4-ethylphenyl)-3-[3-(4-methylphenyl)propyl]thiourea
CID 100611547
ethyl 4-(3-ethoxypropylcarbamothioylamino)benzoate
CID 4668305
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine
CID 115493382

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea?
The IUPAC name of 1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea (CID 4665147) is 1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea?
The canonical SMILES for 1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea is CCCCc1ccc(NC(=S)NCCOCC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea?
The InChIKey is LXTJCGJRHWHOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-5-6-13-7-9-14(10-8-13)17-15(19)16-11-12-18-4-2/h7-10H,3-6,11-12H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea?
1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea has a molecular weight of 280.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(2-ethoxyethyl)thiourea is sourced from PubChem (CID 4665147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).