(E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene

C5H10OS3 — CID 10214435

IUPAC(E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene
SMILESCSS/C=C/CS(C)=O
InChIInChI=1S/C5H10OS3/c1-7-8-4-3-5-9(2)6/h3-4H,5H2,1-2H3/b4-3+
InChIKeyCXAHNLQTKCEOAB-ONEGZZNKSA-N
MW182.34 g/mol
LogP1.89
Rot. Bonds4

About (E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene

(E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene (PubChem CID 10214435) has the molecular formula C5H10OS3 and a molecular weight of 182.34 g/mol. Its IUPAC name is (E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene.

Molecular Properties

Compound Name(E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene
PubChem CID10214435
Molecular FormulaC5H10OS3
Molecular Weight182.34 g/mol
Exact Mass181.99
IUPAC Name(E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene
SMILESCSS/C=C/CS(C)=O
InChIInChI=1S/C5H10OS3/c1-7-8-4-3-5-9(2)6/h3-4H,5H2,1-2H3/b4-3+
InChIKeyCXAHNLQTKCEOAB-ONEGZZNKSA-N
XLogP1.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene?
The IUPAC name of (E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene (CID 10214435) is (E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene.
What is the SMILES notation for (E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene?
The canonical SMILES for (E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene is CSS/C=C/CS(C)=O.
What is the InChIKey of (E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene?
The InChIKey is CXAHNLQTKCEOAB-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10OS3/c1-7-8-4-3-5-9(2)6/h3-4H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene?
(E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene has a molecular weight of 182.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(methyldisulfanyl)-3-methylsulfinylprop-1-ene is sourced from PubChem (CID 10214435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).