3-(4-propan-2-ylphenyl)butanethioamide

C13H19NS — CID 83939082

IUPAC3-(4-propan-2-ylphenyl)butanethioamide
SMILESCC(C)c1ccc(C(C)CC(N)=S)cc1
InChIInChI=1S/C13H19NS/c1-9(2)11-4-6-12(7-5-11)10(3)8-13(14)15/h4-7,9-10H,8H2,1-3H3,(H2,14,15)
InChIKeyUEFUKZLXTMTVFT-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.59
Rot. Bonds4

About 3-(4-propan-2-ylphenyl)butanethioamide

3-(4-propan-2-ylphenyl)butanethioamide (PubChem CID 83939082) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)butanethioamide.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)butanethioamide
PubChem CID83939082
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name3-(4-propan-2-ylphenyl)butanethioamide
SMILESCC(C)c1ccc(C(C)CC(N)=S)cc1
InChIInChI=1S/C13H19NS/c1-9(2)11-4-6-12(7-5-11)10(3)8-13(14)15/h4-7,9-10H,8H2,1-3H3,(H2,14,15)
InChIKeyUEFUKZLXTMTVFT-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-propylsulfanylphenyl)butanethioamide
CID 83935728
3-(4-phenoxyphenyl)butanethioamide
CID 83938971
5-(4-propan-2-ylphenyl)hexan-2-amine
CID 83939090
3-(4-phenylmethoxyphenyl)butanethioamide
CID 83932935
3-(3-bromophenyl)butanethioamide
CID 83924012
2-(4-propan-2-ylphenoxy)ethanethioamide
CID 7745462
3-(2,3,6-trichlorophenyl)butanethioamide
CID 83925137
4-(4-propan-2-ylphenoxy)butanethioamide
CID 24692673
3-(3-tert-butyl-4-ethoxyphenyl)butanethioamide
CID 83934342
4-(4-bromophenyl)-2-oxopentanamide
CID 59163793
(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
CID 29059873
4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline
CID 159376150

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)butanethioamide?
The IUPAC name of 3-(4-propan-2-ylphenyl)butanethioamide (CID 83939082) is 3-(4-propan-2-ylphenyl)butanethioamide.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)butanethioamide?
The canonical SMILES for 3-(4-propan-2-ylphenyl)butanethioamide is CC(C)c1ccc(C(C)CC(N)=S)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)butanethioamide?
The InChIKey is UEFUKZLXTMTVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-9(2)11-4-6-12(7-5-11)10(3)8-13(14)15/h4-7,9-10H,8H2,1-3H3,(H2,14,15).
What are the key properties of 3-(4-propan-2-ylphenyl)butanethioamide?
3-(4-propan-2-ylphenyl)butanethioamide has a molecular weight of 221.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)butanethioamide is sourced from PubChem (CID 83939082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).