(E)-1,2-bis(methylsulfonyl)ethene

C4H8O4S2 — CID 13198777

IUPAC(E)-1,2-bis(methylsulfonyl)ethene
SMILESCS(=O)(=O)/C=C/S(C)(=O)=O
InChIInChI=1S/C4H8O4S2/c1-9(5,6)3-4-10(2,7)8/h3-4H,1-2H3/b4-3+
InChIKeyIRLNDARFTZAVFE-ONEGZZNKSA-N
MW184.24 g/mol
LogP-0.45
Rot. Bonds2

About (E)-1,2-bis(methylsulfonyl)ethene

(E)-1,2-bis(methylsulfonyl)ethene (PubChem CID 13198777) has the molecular formula C4H8O4S2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (E)-1,2-bis(methylsulfonyl)ethene.

Molecular Properties

Compound Name(E)-1,2-bis(methylsulfonyl)ethene
PubChem CID13198777
Molecular FormulaC4H8O4S2
Molecular Weight184.24 g/mol
Exact Mass183.99
IUPAC Name(E)-1,2-bis(methylsulfonyl)ethene
SMILESCS(=O)(=O)/C=C/S(C)(=O)=O
InChIInChI=1S/C4H8O4S2/c1-9(5,6)3-4-10(2,7)8/h3-4H,1-2H3/b4-3+
InChIKeyIRLNDARFTZAVFE-ONEGZZNKSA-N
XLogP-0.45
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis(methylsulfonyl)ethene?
The IUPAC name of (E)-1,2-bis(methylsulfonyl)ethene (CID 13198777) is (E)-1,2-bis(methylsulfonyl)ethene.
What is the SMILES notation for (E)-1,2-bis(methylsulfonyl)ethene?
The canonical SMILES for (E)-1,2-bis(methylsulfonyl)ethene is CS(=O)(=O)/C=C/S(C)(=O)=O.
What is the InChIKey of (E)-1,2-bis(methylsulfonyl)ethene?
The InChIKey is IRLNDARFTZAVFE-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H8O4S2/c1-9(5,6)3-4-10(2,7)8/h3-4H,1-2H3/b4-3+.
What are the key properties of (E)-1,2-bis(methylsulfonyl)ethene?
(E)-1,2-bis(methylsulfonyl)ethene has a molecular weight of 184.24 g/mol, XLogP of -0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis(methylsulfonyl)ethene is sourced from PubChem (CID 13198777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).