1-methylsulfinylbut-1-ene

C5H10OS — CID 54208852

IUPAC1-methylsulfinylbut-1-ene
SMILESCCC=CS(C)=O
InChIInChI=1S/C5H10OS/c1-3-4-5-7(2)6/h4-5H,3H2,1-2H3
InChIKeyLMGSZJBBFDXYFN-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.29
Rot. Bonds2

About 1-methylsulfinylbut-1-ene

1-methylsulfinylbut-1-ene (PubChem CID 54208852) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 1-methylsulfinylbut-1-ene.

Molecular Properties

Compound Name1-methylsulfinylbut-1-ene
PubChem CID54208852
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name1-methylsulfinylbut-1-ene
SMILESCCC=CS(C)=O
InChIInChI=1S/C5H10OS/c1-3-4-5-7(2)6/h4-5H,3H2,1-2H3
InChIKeyLMGSZJBBFDXYFN-UHFFFAOYSA-N
XLogP1.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Methylthio)-1-butene, (1E)-
CID 5368103
Thiosulfinate
CID 58219327
S-2-Propenyl 1-propenesulfinothioate
CID 58219317
S-2-Propenyl methanesulfinothioate
CID 20216915
(Z)-S-1-Propenyl methanesulfinothioate
CID 14412546
Methyl 1-propenyl thiosulfinate
CID 5319763
Methanesulfinothioic acid, S-1-propenyl ester
CID 10129986
(E)-1-butenesulfenate
CID 87828817
1-Buten-1-yl methyl sulfide
CID 519416
S-Propyl (1E)-1-propene-1-sulfinothioate
CID 58219322
(Z)-S-Methyl 1-propenesulfinothioate
CID 131751294
R-Propyl 1-propenesulfinothioate
CID 131751295

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinylbut-1-ene?
The IUPAC name of 1-methylsulfinylbut-1-ene (CID 54208852) is 1-methylsulfinylbut-1-ene.
What is the SMILES notation for 1-methylsulfinylbut-1-ene?
The canonical SMILES for 1-methylsulfinylbut-1-ene is CCC=CS(C)=O.
What is the InChIKey of 1-methylsulfinylbut-1-ene?
The InChIKey is LMGSZJBBFDXYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-3-4-5-7(2)6/h4-5H,3H2,1-2H3.
What are the key properties of 1-methylsulfinylbut-1-ene?
1-methylsulfinylbut-1-ene has a molecular weight of 118.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinylbut-1-ene is sourced from PubChem (CID 54208852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).