4-propoxybutanethioamide

C7H15NOS — CID 43248088

IUPAC4-propoxybutanethioamide
SMILESCCCOCCCC(N)=S
InChIInChI=1S/C7H15NOS/c1-2-5-9-6-3-4-7(8)10/h2-6H2,1H3,(H2,8,10)
InChIKeyKEEZLRKMRLTMID-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.48
Rot. Bonds6

About 4-propoxybutanethioamide

4-propoxybutanethioamide (PubChem CID 43248088) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 4-propoxybutanethioamide.

Molecular Properties

Compound Name4-propoxybutanethioamide
PubChem CID43248088
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name4-propoxybutanethioamide
SMILESCCCOCCCC(N)=S
InChIInChI=1S/C7H15NOS/c1-2-5-9-6-3-4-7(8)10/h2-6H2,1H3,(H2,8,10)
InChIKeyKEEZLRKMRLTMID-UHFFFAOYSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propoxybutanethioamide?
The IUPAC name of 4-propoxybutanethioamide (CID 43248088) is 4-propoxybutanethioamide.
What is the SMILES notation for 4-propoxybutanethioamide?
The canonical SMILES for 4-propoxybutanethioamide is CCCOCCCC(N)=S.
What is the InChIKey of 4-propoxybutanethioamide?
The InChIKey is KEEZLRKMRLTMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-5-9-6-3-4-7(8)10/h2-6H2,1H3,(H2,8,10).
What are the key properties of 4-propoxybutanethioamide?
4-propoxybutanethioamide has a molecular weight of 161.27 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxybutanethioamide is sourced from PubChem (CID 43248088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).