3-methylsulfinylprop-1-ene

C4H8OS — CID 10887844

IUPAC3-methylsulfinylprop-1-ene
SMILESC=CCS(C)=O
InChIInChI=1S/C4H8OS/c1-3-4-6(2)5/h3H,1,4H2,2H3
InChIKeyJWWFEYMQBBFIRT-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.55
Rot. Bonds2

About 3-methylsulfinylprop-1-ene

3-methylsulfinylprop-1-ene (PubChem CID 10887844) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 3-methylsulfinylprop-1-ene.

Molecular Properties

Compound Name3-methylsulfinylprop-1-ene
PubChem CID10887844
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name3-methylsulfinylprop-1-ene
SMILESC=CCS(C)=O
InChIInChI=1S/C4H8OS/c1-3-4-6(2)5/h3H,1,4H2,2H3
InChIKeyJWWFEYMQBBFIRT-UHFFFAOYSA-N
XLogP0.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Allicin
CID 65036
S-Methyl 2-propene-1-sulfinothioate
CID 5319504
Ajoene
CID 5386591
Thiosulfinate
CID 58219327
(Z)-Ajoene
CID 9881148
3-Methanesulfonylprop-1-ene
CID 140048
S-1-Propenyl 2-propenesulfinothioate
CID 10558949
S-2-Propenyl 1-propenesulfinothioate
CID 58219317
(Z)-[3-(Methylsulfinyl)-1-propenyl] 2-propenyl disulfide
CID 20216911
S-2-Propenyl 1-propanesulfinothioate
CID 20209224
S-2-Propenyl methanesulfinothioate
CID 20216915
(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide
CID 10214435

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinylprop-1-ene?
The IUPAC name of 3-methylsulfinylprop-1-ene (CID 10887844) is 3-methylsulfinylprop-1-ene.
What is the SMILES notation for 3-methylsulfinylprop-1-ene?
The canonical SMILES for 3-methylsulfinylprop-1-ene is C=CCS(C)=O.
What is the InChIKey of 3-methylsulfinylprop-1-ene?
The InChIKey is JWWFEYMQBBFIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-3-4-6(2)5/h3H,1,4H2,2H3.
What are the key properties of 3-methylsulfinylprop-1-ene?
3-methylsulfinylprop-1-ene has a molecular weight of 104.17 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinylprop-1-ene is sourced from PubChem (CID 10887844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).