(E)-1-methylsulfanylsulfinylprop-1-ene

C4H8OS2 — CID 5319763

IUPAC(E)-1-methylsulfanylsulfinylprop-1-ene
SMILESC/C=C/S(=O)SC
InChIInChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3-4H,1-2H3/b4-3+
InChIKeyLXYFYPXBSIMFKX-ONEGZZNKSA-N
MW136.24 g/mol
LogP1.55
Rot. Bonds2

About (E)-1-methylsulfanylsulfinylprop-1-ene

(E)-1-methylsulfanylsulfinylprop-1-ene (PubChem CID 5319763) has the molecular formula C4H8OS2 and a molecular weight of 136.24 g/mol. Its IUPAC name is (E)-1-methylsulfanylsulfinylprop-1-ene.

Molecular Properties

Compound Name(E)-1-methylsulfanylsulfinylprop-1-ene
PubChem CID5319763
Molecular FormulaC4H8OS2
Molecular Weight136.24 g/mol
Exact Mass136.00
IUPAC Name(E)-1-methylsulfanylsulfinylprop-1-ene
SMILESC/C=C/S(=O)SC
InChIInChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3-4H,1-2H3/b4-3+
InChIKeyLXYFYPXBSIMFKX-ONEGZZNKSA-N
XLogP1.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylsulfanylsulfinylprop-1-ene?
The IUPAC name of (E)-1-methylsulfanylsulfinylprop-1-ene (CID 5319763) is (E)-1-methylsulfanylsulfinylprop-1-ene.
What is the SMILES notation for (E)-1-methylsulfanylsulfinylprop-1-ene?
The canonical SMILES for (E)-1-methylsulfanylsulfinylprop-1-ene is C/C=C/S(=O)SC.
What is the InChIKey of (E)-1-methylsulfanylsulfinylprop-1-ene?
The InChIKey is LXYFYPXBSIMFKX-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3-4H,1-2H3/b4-3+.
What are the key properties of (E)-1-methylsulfanylsulfinylprop-1-ene?
(E)-1-methylsulfanylsulfinylprop-1-ene has a molecular weight of 136.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methylsulfanylsulfinylprop-1-ene is sourced from PubChem (CID 5319763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).