2-ethenylsulfinylpropane

C5H10OS — CID 5323637

IUPAC2-ethenylsulfinylpropane
SMILESC=CS(=O)C(C)C
InChIInChI=1S/C5H10OS/c1-4-7(6)5(2)3/h4-5H,1H2,2-3H3
InChIKeyHIOVAKRDECQPSR-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.29
Rot. Bonds2

About 2-ethenylsulfinylpropane

2-ethenylsulfinylpropane (PubChem CID 5323637) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-ethenylsulfinylpropane.

Molecular Properties

Compound Name2-ethenylsulfinylpropane
PubChem CID5323637
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-ethenylsulfinylpropane
SMILESC=CS(=O)C(C)C
InChIInChI=1S/C5H10OS/c1-4-7(6)5(2)3/h4-5H,1H2,2-3H3
InChIKeyHIOVAKRDECQPSR-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

(Z)-[3-(Methylsulfinyl)-1-propenyl] 2-propenyl disulfide
CID 20216911
(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide
CID 10214435
2-(Ethenesulfonyl)-2-methylpropane
CID 5323639
Propane, 1-(ethenylsulfinyl)-
CID 143855
Vinyl ethyl sulfoxide
CID 182087
Butyl vinyl sulfone
CID 283730
Sulfoxide, isopropyl methyl
CID 139683
3-Ethylsulphinyl-1-propene
CID 141921
Allyl methyl sulfoxide
CID 10887844
2-Ethenylsulfinyl-2-methylpropane
CID 534766
Disulfide, (1Z)-3-(methylsulfinyl)-1-propenyl 2-propenyl
CID 10176669
Butane, 1-(ethenylsulfinyl)-
CID 12174977

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfinylpropane?
The IUPAC name of 2-ethenylsulfinylpropane (CID 5323637) is 2-ethenylsulfinylpropane.
What is the SMILES notation for 2-ethenylsulfinylpropane?
The canonical SMILES for 2-ethenylsulfinylpropane is C=CS(=O)C(C)C.
What is the InChIKey of 2-ethenylsulfinylpropane?
The InChIKey is HIOVAKRDECQPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-7(6)5(2)3/h4-5H,1H2,2-3H3.
What are the key properties of 2-ethenylsulfinylpropane?
2-ethenylsulfinylpropane 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 2-ethenylsulfinylpropane is sourced from PubChem (CID 5323637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).