4-(4-propylphenyl)butanethioamide

C13H19NS — CID 83921539

IUPAC4-(4-propylphenyl)butanethioamide
SMILESCCCc1ccc(CCCC(N)=S)cc1
InChIInChI=1S/C13H19NS/c1-2-4-11-7-9-12(10-8-11)5-3-6-13(14)15/h7-10H,2-6H2,1H3,(H2,14,15)
InChIKeyQJXWYFYKUDGUCJ-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.25
Rot. Bonds6

About 4-(4-propylphenyl)butanethioamide

4-(4-propylphenyl)butanethioamide (PubChem CID 83921539) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-(4-propylphenyl)butanethioamide.

Molecular Properties

Compound Name4-(4-propylphenyl)butanethioamide
PubChem CID83921539
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name4-(4-propylphenyl)butanethioamide
SMILESCCCc1ccc(CCCC(N)=S)cc1
InChIInChI=1S/C13H19NS/c1-2-4-11-7-9-12(10-8-11)5-3-6-13(14)15/h7-10H,2-6H2,1H3,(H2,14,15)
InChIKeyQJXWYFYKUDGUCJ-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.25
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-propylphenyl)propanethioamide
CID 83921535
4-(4-tert-butylphenyl)butanethioamide
CID 83928746
4-(5-propylthiophen-2-yl)butanethioamide
CID 83929537
4-(4-propylphenyl)butan-1-ol
CID 10511962
4-(3-chloro-4-methoxyphenyl)butanethioamide
CID 83928516
6-(4-propylphenyl)hexan-1-amine
CID 65300510
1-(4-butylphenyl)heptan-4-one
CID 83921783
ethane;4-(4-ethylphenyl)butanamide
CID 142203218
3-(4-tert-butylphenyl)propanethioamide
CID 82080145
pentanethioamide;hydrochloride
CID 140974365
4-(4-methoxy-3-propan-2-ylphenyl)butanethioamide
CID 83926834
2-[(4-propylphenyl)sulfonylamino]ethanethioamide
CID 61127492

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)butanethioamide?
The IUPAC name of 4-(4-propylphenyl)butanethioamide (CID 83921539) is 4-(4-propylphenyl)butanethioamide.
What is the SMILES notation for 4-(4-propylphenyl)butanethioamide?
The canonical SMILES for 4-(4-propylphenyl)butanethioamide is CCCc1ccc(CCCC(N)=S)cc1.
What is the InChIKey of 4-(4-propylphenyl)butanethioamide?
The InChIKey is QJXWYFYKUDGUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-4-11-7-9-12(10-8-11)5-3-6-13(14)15/h7-10H,2-6H2,1H3,(H2,14,15).
What are the key properties of 4-(4-propylphenyl)butanethioamide?
4-(4-propylphenyl)butanethioamide has a molecular weight of 221.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)butanethioamide is sourced from PubChem (CID 83921539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).