(E)-1-ethenylsulfonyl-2-methylsulfanylethene

C5H8O2S2 — CID 21429335

IUPAC(E)-1-ethenylsulfonyl-2-methylsulfanylethene
SMILESC=CS(=O)(=O)/C=C/SC
InChIInChI=1S/C5H8O2S2/c1-3-9(6,7)5-4-8-2/h3-5H,1H2,2H3/b5-4+
InChIKeyZQDUHQOGNJWYHH-SNAWJCMRSA-N
MW164.25 g/mol
LogP1.38
Rot. Bonds3

About (E)-1-ethenylsulfonyl-2-methylsulfanylethene

(E)-1-ethenylsulfonyl-2-methylsulfanylethene (PubChem CID 21429335) has the molecular formula C5H8O2S2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (E)-1-ethenylsulfonyl-2-methylsulfanylethene.

Molecular Properties

Compound Name(E)-1-ethenylsulfonyl-2-methylsulfanylethene
PubChem CID21429335
Molecular FormulaC5H8O2S2
Molecular Weight164.25 g/mol
Exact Mass164.00
IUPAC Name(E)-1-ethenylsulfonyl-2-methylsulfanylethene
SMILESC=CS(=O)(=O)/C=C/SC
InChIInChI=1S/C5H8O2S2/c1-3-9(6,7)5-4-8-2/h3-5H,1H2,2H3/b5-4+
InChIKeyZQDUHQOGNJWYHH-SNAWJCMRSA-N
XLogP1.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 69053806
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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethenylsulfonyl-2-methylsulfanylethene?
The IUPAC name of (E)-1-ethenylsulfonyl-2-methylsulfanylethene (CID 21429335) is (E)-1-ethenylsulfonyl-2-methylsulfanylethene.
What is the SMILES notation for (E)-1-ethenylsulfonyl-2-methylsulfanylethene?
The canonical SMILES for (E)-1-ethenylsulfonyl-2-methylsulfanylethene is C=CS(=O)(=O)/C=C/SC.
What is the InChIKey of (E)-1-ethenylsulfonyl-2-methylsulfanylethene?
The InChIKey is ZQDUHQOGNJWYHH-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H8O2S2/c1-3-9(6,7)5-4-8-2/h3-5H,1H2,2H3/b5-4+.
What are the key properties of (E)-1-ethenylsulfonyl-2-methylsulfanylethene?
(E)-1-ethenylsulfonyl-2-methylsulfanylethene has a molecular weight of 164.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethenylsulfonyl-2-methylsulfanylethene is sourced from PubChem (CID 21429335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).