pentanethioamide

C5H11NS — CID 12534254

IUPACpentanethioamide
SMILESCCCCC(N)=S
InChIInChI=1S/C5H11NS/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKeyFFXIGVUMVPUWDK-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.46
Rot. Bonds3

About pentanethioamide

pentanethioamide (PubChem CID 12534254) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is pentanethioamide.

Molecular Properties

Compound Namepentanethioamide
PubChem CID12534254
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Namepentanethioamide
SMILESCCCCC(N)=S
InChIInChI=1S/C5H11NS/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKeyFFXIGVUMVPUWDK-UHFFFAOYSA-N
XLogP1.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.46
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 pentanethioamide?
The IUPAC name of pentanethioamide (CID 12534254) is pentanethioamide.
What is the SMILES notation for pentanethioamide?
The canonical SMILES for pentanethioamide is CCCCC(N)=S.
What is the InChIKey of pentanethioamide?
The InChIKey is FFXIGVUMVPUWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7).
What are the key properties of pentanethioamide?
pentanethioamide has a molecular weight of 117.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentanethioamide is sourced from PubChem (CID 12534254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).