4-ethylsulfinylbut-1-yne

C6H10OS — CID 59155005

IUPAC4-ethylsulfinylbut-1-yne
SMILESC#CCCS(=O)CC
InChIInChI=1S/C6H10OS/c1-3-5-6-8(7)4-2/h1H,4-6H2,2H3
InChIKeyRDTRLDINUHIQQH-UHFFFAOYSA-N
MW130.21 g/mol
LogP0.78
Rot. Bonds3

About 4-ethylsulfinylbut-1-yne

4-ethylsulfinylbut-1-yne (PubChem CID 59155005) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-ethylsulfinylbut-1-yne.

Molecular Properties

Compound Name4-ethylsulfinylbut-1-yne
PubChem CID59155005
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name4-ethylsulfinylbut-1-yne
SMILESC#CCCS(=O)CC
InChIInChI=1S/C6H10OS/c1-3-5-6-8(7)4-2/h1H,4-6H2,2H3
InChIKeyRDTRLDINUHIQQH-UHFFFAOYSA-N
XLogP0.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethylsulfinylbut-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfinylbut-1-yne?
The IUPAC name of 4-ethylsulfinylbut-1-yne (CID 59155005) is 4-ethylsulfinylbut-1-yne.
What is the SMILES notation for 4-ethylsulfinylbut-1-yne?
The canonical SMILES for 4-ethylsulfinylbut-1-yne is C#CCCS(=O)CC.
What is the InChIKey of 4-ethylsulfinylbut-1-yne?
The InChIKey is RDTRLDINUHIQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-3-5-6-8(7)4-2/h1H,4-6H2,2H3.
What are the key properties of 4-ethylsulfinylbut-1-yne?
4-ethylsulfinylbut-1-yne has a molecular weight of 130.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfinylbut-1-yne is sourced from PubChem (CID 59155005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).