2-ethylbutanethioamide

C6H13NS — CID 3062527

IUPAC2-ethylbutanethioamide
SMILESCCC(CC)C(N)=S
InChIInChI=1S/C6H13NS/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyZQPXMBHQIBIRCF-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.71
Rot. Bonds3

About 2-ethylbutanethioamide

2-ethylbutanethioamide (PubChem CID 3062527) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2-ethylbutanethioamide.

Molecular Properties

Compound Name2-ethylbutanethioamide
PubChem CID3062527
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2-ethylbutanethioamide
SMILESCCC(CC)C(N)=S
InChIInChI=1S/C6H13NS/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyZQPXMBHQIBIRCF-UHFFFAOYSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylbutanethioamide?
The IUPAC name of 2-ethylbutanethioamide (CID 3062527) is 2-ethylbutanethioamide.
What is the SMILES notation for 2-ethylbutanethioamide?
The canonical SMILES for 2-ethylbutanethioamide is CCC(CC)C(N)=S.
What is the InChIKey of 2-ethylbutanethioamide?
The InChIKey is ZQPXMBHQIBIRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of 2-ethylbutanethioamide?
2-ethylbutanethioamide has a molecular weight of 131.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutanethioamide is sourced from PubChem (CID 3062527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).