1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea

C15H24N2S — CID 19675256

IUPAC1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
SMILESCCCCNC(=S)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C15H24N2S/c1-5-6-9-16-15(18)17-13(4)14-8-7-11(2)10-12(14)3/h7-8,10,13H,5-6,9H2,1-4H3,(H2,16,17,18)
InChIKeyILYQDEDAFFPYRH-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.63
Rot. Bonds5

About 1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea

1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea (PubChem CID 19675256) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
PubChem CID19675256
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
SMILESCCCCNC(=S)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C15H24N2S/c1-5-6-9-16-15(18)17-13(4)14-8-7-11(2)10-12(14)3/h7-8,10,13H,5-6,9H2,1-4H3,(H2,16,17,18)
InChIKeyILYQDEDAFFPYRH-UHFFFAOYSA-N
XLogP3.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.63
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-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675268
1-butyl-3-[1-(2-fluorophenyl)ethyl]thiourea
CID 115570634
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
CID 54862005
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
1-(2,6-difluorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]thiourea
CID 100647850
1-[1-(2,4-dimethylphenyl)ethyl]-3-pyridin-4-ylthiourea
CID 133215413
1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea
CID 19675189
2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol
CID 82313534
1-[(1S)-1-(4-bromophenyl)ethyl]-3-butylthiourea
CID 8677045
1-[1-(4-bromophenyl)ethyl]-3-butylthiourea
CID 78751867
1-butyl-3-[1-(3-chlorophenyl)ethyl]thiourea
CID 113218383
1-butyl-3-[(1R)-1-(4-phenylphenyl)ethyl]thiourea
CID 7943701

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea?
The IUPAC name of 1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea (CID 19675256) is 1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea?
The canonical SMILES for 1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea is CCCCNC(=S)NC(C)c1ccc(C)cc1C.
What is the InChIKey of 1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea?
The InChIKey is ILYQDEDAFFPYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-5-6-9-16-15(18)17-13(4)14-8-7-11(2)10-12(14)3/h7-8,10,13H,5-6,9H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea?
1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea has a molecular weight of 264.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea is sourced from PubChem (CID 19675256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).