5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane

C12H18O2S — CID 143333512

IUPAC5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane
SMILESC=CC1=C(C=C)S(=O)(=O)CCC1=C.CC
InChIInChI=1S/C10H12O2S.C2H6/c1-4-9-8(3)6-7-13(11,12)10(9)5-2;1-2/h4-5H,1-3,6-7H2;1-2H3
InChIKeyFWDLVOYBWUVUDW-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.01
Rot. Bonds2

About 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane

5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane (PubChem CID 143333512) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane
PubChem CID143333512
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane
SMILESC=CC1=C(C=C)S(=O)(=O)CCC1=C.CC
InChIInChI=1S/C10H12O2S.C2H6/c1-4-9-8(3)6-7-13(11,12)10(9)5-2;1-2/h4-5H,1-3,6-7H2;1-2H3
InChIKeyFWDLVOYBWUVUDW-UHFFFAOYSA-N
XLogP3.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
3,4-Dimethyl-2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
CID 6420227
(3S)-3-tert-butylsulfonylcyclohexene
CID 10932538
(3S)-3-tert-butylsulfonylcycloheptene
CID 15550936
(3S)-3-tert-butylsulfonylcyclopentene
CID 102116147
Geranyl sulfone
CID 10131962
Farnesyl sulfone
CID 53959402
1-(3,7-Dimethylocta-2,6-dienylsulfonyl)-3,7-dimethylocta-2,6-diene
CID 54194387
(2E)-3,7-dimethyl-1-methylsulfonylocta-2,6-diene
CID 56942406
3-(4,8-Dimethylnona-3,7-dien-1-yl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 71337813
5-Ethylsulfonyl-5-fluorocyclohexa-1,3-diene
CID 69312973

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane?
The IUPAC name of 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane (CID 143333512) is 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane is C=CC1=C(C=C)S(=O)(=O)CCC1=C.CC.
What is the InChIKey of 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane?
The InChIKey is FWDLVOYBWUVUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S.C2H6/c1-4-9-8(3)6-7-13(11,12)10(9)5-2;1-2/h4-5H,1-3,6-7H2;1-2H3.
What are the key properties of 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane?
5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane has a molecular weight of 226.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane is sourced from PubChem (CID 143333512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).