4-(5-propylthiophen-2-yl)butanethioamide

C11H17NS2 — CID 83929537

IUPAC4-(5-propylthiophen-2-yl)butanethioamide
SMILESCCCc1ccc(CCCC(N)=S)s1
InChIInChI=1S/C11H17NS2/c1-2-4-9-7-8-10(14-9)5-3-6-11(12)13/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyPNBGMWKMWOSOTR-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.31
Rot. Bonds6

About 4-(5-propylthiophen-2-yl)butanethioamide

4-(5-propylthiophen-2-yl)butanethioamide (PubChem CID 83929537) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is 4-(5-propylthiophen-2-yl)butanethioamide.

Molecular Properties

Compound Name4-(5-propylthiophen-2-yl)butanethioamide
PubChem CID83929537
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name4-(5-propylthiophen-2-yl)butanethioamide
SMILESCCCc1ccc(CCCC(N)=S)s1
InChIInChI=1S/C11H17NS2/c1-2-4-9-7-8-10(14-9)5-3-6-11(12)13/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyPNBGMWKMWOSOTR-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methylthiophen-2-yl)butanethioamide
CID 83929284
4-(4-propylphenyl)butanethioamide
CID 83921539
2,5-dipropylthiophene
CID 587485
3-(5-methylthiophen-2-yl)propanethioamide
CID 83929280
2,5-diheptylthiophene
CID 607114
3-(4-propylphenyl)propanethioamide
CID 83921535
1-(5-bromothiophen-2-yl)heptan-4-one
CID 64520932
2-amino-2-methyl-4-(5-octylthiophen-2-yl)butan-1-ol
CID 139907975
2-dodecyl-5-ethylthiophene
CID 528251
2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine
CID 170868986
6-(5-ethylthiophen-2-yl)-2,2-dimethylhexan-3-one
CID 64502667
4-(4-tert-butylphenyl)butanethioamide
CID 83928746

Frequently Asked Questions

What is the IUPAC name of 4-(5-propylthiophen-2-yl)butanethioamide?
The IUPAC name of 4-(5-propylthiophen-2-yl)butanethioamide (CID 83929537) is 4-(5-propylthiophen-2-yl)butanethioamide.
What is the SMILES notation for 4-(5-propylthiophen-2-yl)butanethioamide?
The canonical SMILES for 4-(5-propylthiophen-2-yl)butanethioamide is CCCc1ccc(CCCC(N)=S)s1.
What is the InChIKey of 4-(5-propylthiophen-2-yl)butanethioamide?
The InChIKey is PNBGMWKMWOSOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-2-4-9-7-8-10(14-9)5-3-6-11(12)13/h7-8H,2-6H2,1H3,(H2,12,13).
What are the key properties of 4-(5-propylthiophen-2-yl)butanethioamide?
4-(5-propylthiophen-2-yl)butanethioamide has a molecular weight of 227.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propylthiophen-2-yl)butanethioamide is sourced from PubChem (CID 83929537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).