1-ethylsulfinylbut-1-yne

C6H10OS — CID 91091271

IUPAC1-ethylsulfinylbut-1-yne
SMILESCCC#CS(=O)CC
InChIInChI=1S/C6H10OS/c1-3-5-6-8(7)4-2/h3-4H2,1-2H3
InChIKeyMWUJSRIPHJPEOQ-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.13
Rot. Bonds1

About 1-ethylsulfinylbut-1-yne

1-ethylsulfinylbut-1-yne (PubChem CID 91091271) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 1-ethylsulfinylbut-1-yne.

Molecular Properties

Compound Name1-ethylsulfinylbut-1-yne
PubChem CID91091271
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name1-ethylsulfinylbut-1-yne
SMILESCCC#CS(=O)CC
InChIInChI=1S/C6H10OS/c1-3-5-6-8(7)4-2/h3-4H2,1-2H3
InChIKeyMWUJSRIPHJPEOQ-UHFFFAOYSA-N
XLogP1.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinylbut-1-yne?
The IUPAC name of 1-ethylsulfinylbut-1-yne (CID 91091271) is 1-ethylsulfinylbut-1-yne.
What is the SMILES notation for 1-ethylsulfinylbut-1-yne?
The canonical SMILES for 1-ethylsulfinylbut-1-yne is CCC#CS(=O)CC.
What is the InChIKey of 1-ethylsulfinylbut-1-yne?
The InChIKey is MWUJSRIPHJPEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-3-5-6-8(7)4-2/h3-4H2,1-2H3.
What are the key properties of 1-ethylsulfinylbut-1-yne?
1-ethylsulfinylbut-1-yne has a molecular weight of 130.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinylbut-1-yne is sourced from PubChem (CID 91091271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).