4-(4-tert-butylphenyl)butanethioamide

C14H21NS — CID 83928746

IUPAC4-(4-tert-butylphenyl)butanethioamide
SMILESCC(C)(C)c1ccc(CCCC(N)=S)cc1
InChIInChI=1S/C14H21NS/c1-14(2,3)12-9-7-11(8-10-12)5-4-6-13(15)16/h7-10H,4-6H2,1-3H3,(H2,15,16)
InChIKeyFDANBXSDOCHTAU-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.59
Rot. Bonds4

About 4-(4-tert-butylphenyl)butanethioamide

4-(4-tert-butylphenyl)butanethioamide (PubChem CID 83928746) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)butanethioamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)butanethioamide
PubChem CID83928746
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name4-(4-tert-butylphenyl)butanethioamide
SMILESCC(C)(C)c1ccc(CCCC(N)=S)cc1
InChIInChI=1S/C14H21NS/c1-14(2,3)12-9-7-11(8-10-12)5-4-6-13(15)16/h7-10H,4-6H2,1-3H3,(H2,15,16)
InChIKeyFDANBXSDOCHTAU-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
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-tert-butylphenyl)propanethioamide
CID 82080145
4-(4-tert-butylphenyl)butanamide
CID 20619639
4-(4-propylphenyl)butanethioamide
CID 83921539
3-(4-tert-butylphenyl)-N,N-dimethylpropanethioamide
CID 162716642
3-(4-propylphenyl)propanethioamide
CID 83921535
1-tert-butyl-4-undecylbenzene
CID 162402478
2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol
CID 129085386
3-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]propanethioamide
CID 63285367
4-(3-chloro-4-methoxyphenyl)butanethioamide
CID 83928516
tris[2-(4-tert-butylphenyl)ethyl]-sulfanylidene-λ5-phosphane
CID 122379311
6-(4-tert-butylphenyl)-2-methylhexan-3-amine
CID 64504626
6-(4-iodophenyl)-2,2-dimethylhexane-3-thione
CID 134309816

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)butanethioamide?
The IUPAC name of 4-(4-tert-butylphenyl)butanethioamide (CID 83928746) is 4-(4-tert-butylphenyl)butanethioamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)butanethioamide?
The canonical SMILES for 4-(4-tert-butylphenyl)butanethioamide is CC(C)(C)c1ccc(CCCC(N)=S)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)butanethioamide?
The InChIKey is FDANBXSDOCHTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-14(2,3)12-9-7-11(8-10-12)5-4-6-13(15)16/h7-10H,4-6H2,1-3H3,(H2,15,16).
What are the key properties of 4-(4-tert-butylphenyl)butanethioamide?
4-(4-tert-butylphenyl)butanethioamide has a molecular weight of 235.40 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 4-(4-tert-butylphenyl)butanethioamide is sourced from PubChem (CID 83928746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).