(Z)-1-methoxy-2-methylsulfonylethene

C4H8O3S — CID 59786736

IUPAC(Z)-1-methoxy-2-methylsulfonylethene
SMILESCO/C=C\S(C)(=O)=O
InChIInChI=1S/C4H8O3S/c1-7-3-4-8(2,5)6/h3-4H,1-2H3/b4-3-
InChIKeyFCSBHLVTVGGEEC-ARJAWSKDSA-N
MW136.17 g/mol
LogP0.15
Rot. Bonds2

About (Z)-1-methoxy-2-methylsulfonylethene

(Z)-1-methoxy-2-methylsulfonylethene (PubChem CID 59786736) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is (Z)-1-methoxy-2-methylsulfonylethene.

Molecular Properties

Compound Name(Z)-1-methoxy-2-methylsulfonylethene
PubChem CID59786736
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name(Z)-1-methoxy-2-methylsulfonylethene
SMILESCO/C=C\S(C)(=O)=O
InChIInChI=1S/C4H8O3S/c1-7-3-4-8(2,5)6/h3-4H,1-2H3/b4-3-
InChIKeyFCSBHLVTVGGEEC-ARJAWSKDSA-N
XLogP0.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-methoxy-2-methylsulfonylethene?
The IUPAC name of (Z)-1-methoxy-2-methylsulfonylethene (CID 59786736) is (Z)-1-methoxy-2-methylsulfonylethene.
What is the SMILES notation for (Z)-1-methoxy-2-methylsulfonylethene?
The canonical SMILES for (Z)-1-methoxy-2-methylsulfonylethene is CO/C=C\S(C)(=O)=O.
What is the InChIKey of (Z)-1-methoxy-2-methylsulfonylethene?
The InChIKey is FCSBHLVTVGGEEC-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H8O3S/c1-7-3-4-8(2,5)6/h3-4H,1-2H3/b4-3-.
What are the key properties of (Z)-1-methoxy-2-methylsulfonylethene?
(Z)-1-methoxy-2-methylsulfonylethene has a molecular weight of 136.17 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methoxy-2-methylsulfonylethene is sourced from PubChem (CID 59786736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).