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

C12H18OS — CID 143846989

IUPAC5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane
SMILESC=CC1=C(C=C)S(=O)CCC1=C.CC
InChIInChI=1S/C10H12OS.C2H6/c1-4-9-8(3)6-7-12(11)10(9)5-2;1-2/h4-5H,1-3,6-7H2;1-2H3
InChIKeyHOFLKYSHWJGHCB-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.35
Rot. Bonds2

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

5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane (PubChem CID 143846989) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane
PubChem CID143846989
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane
SMILESC=CC1=C(C=C)S(=O)CCC1=C.CC
InChIInChI=1S/C10H12OS.C2H6/c1-4-9-8(3)6-7-12(11)10(9)5-2;1-2/h4-5H,1-3,6-7H2;1-2H3
InChIKeyHOFLKYSHWJGHCB-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-1-methylsulfinyloct-3-ene
CID 14024908
2-Butylthiopyrane oxide
CID 70256276
Dimethyl-thio-pyron
CID 129638026
1-Methyl 4-methylphenyl 3-(trimethylstannyl)propyl sulfone
CID 129767083
2-(Ethylthio)-6,10-dimethyl-1,3,5,9-undecatetraene
CID 129804243
3-Methylidene-6-(octylsulfinylmethylidene)cyclohexa-1,4-diene
CID 134888091
4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran
CID 134945502
(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 134994578
(5E)-5-methyl-7-[(2E)-3-methylhepta-2,6-dienyl]sulfinylhepta-1,5-diene
CID 134995242
Furfuryl pentyl sulfide
CID 528329
3-(4-Methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide
CID 10749998
(2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 15318730

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane?
The IUPAC name of 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane (CID 143846989) is 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane is C=CC1=C(C=C)S(=O)CCC1=C.CC.
What is the InChIKey of 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane?
The InChIKey is HOFLKYSHWJGHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS.C2H6/c1-4-9-8(3)6-7-12(11)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-oxide;ethane?
5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane has a molecular weight of 210.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane is sourced from PubChem (CID 143846989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).