(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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Related Compounds

(Z)-1-chloro-2-methylsulfonylethene
CID 5365484
(Z,2S)-4-methylsulfonylbut-3-en-2-amine
CID 170718426
CID 157288290
CID 157288290
(E)-4-methyl-1-methylsulfonylpent-1-en-3-one
CID 165384333
(E)-1,1,1-trifluoro-4-methylsulfonylbut-3-en-2-one
CID 11424213
[(E)-3-methylsulfonylprop-2-enyl] carbamate
CID 175360018
5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride
CID 53395510
iodo(methylsulfonyl)phosphane
CID 175949620
2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole
CID 92857176
(2S)-2-amino-5-methylsulfonylpent-4-enoic acid
CID 174239098
copper(1+);methylsulfonylmethane;bromide
CID 175181305
methylsulfonylazanium
CID 59060153

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).