5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol

C13H22O2S — CID 143341688

IUPAC5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol
SMILESC=CC1=C(C=C)S(=O)CC(=C)C1.CC.CO
InChIInChI=1S/C10H12OS.C2H6.CH4O/c1-4-9-6-8(3)7-12(11)10(9)5-2;2*1-2/h4-5H,1-3,6-7H2;1-2H3;2H,1H3
InChIKeyTZIXINQULNJRGH-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.96
Rot. Bonds2

About 5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol

5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol (PubChem CID 143341688) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol.

Molecular Properties

Compound Name5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol
PubChem CID143341688
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol
SMILESC=CC1=C(C=C)S(=O)CC(=C)C1.CC.CO
InChIInChI=1S/C10H12OS.C2H6.CH4O/c1-4-9-6-8(3)7-12(11)10(9)5-2;2*1-2/h4-5H,1-3,6-7H2;1-2H3;2H,1H3
InChIKeyTZIXINQULNJRGH-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-oct-3-enyl]sulfinylmethanol
CID 21323072
Oct-3-enylsulfinylmethanol
CID 73769962
2-[2-(2-Hydroxyethylsulfanyl)-4-methylcyclohexa-1,3-dien-1-yl]sulfanylethanol
CID 123822777
6-ethyl-2-ethylsulfonyl-1-[(Z)-prop-1-enyl]cyclohexa-1,3-diene;methanol
CID 141994728
2-(Methylsulfinylmethyl)cyclohexa-1,3-diene;hydrate
CID 142839715
5,6-Bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1,1-dioxide;ethane
CID 143333512
5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide
CID 143340938
5-ethenyl-4-methylidene-6-[(Z)-prop-1-enyl]-2,3-dihydrothiopyran 1-oxide
CID 143341053
5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol
CID 143341105
5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide
CID 143533251
5,6-Bis(ethenyl)-4-methylidene-2,3-dihydrothiopyran 1-oxide;ethane
CID 143846989
2-[1-(2-Methylcyclohexa-1,5-dien-1-yl)propylsulfanyl]ethanol
CID 148667532

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol?
The IUPAC name of 5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol (CID 143341688) is 5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol.
What is the SMILES notation for 5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol?
The canonical SMILES for 5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol is C=CC1=C(C=C)S(=O)CC(=C)C1.CC.CO.
What is the InChIKey of 5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol?
The InChIKey is TZIXINQULNJRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS.C2H6.CH4O/c1-4-9-6-8(3)7-12(11)10(9)5-2;2*1-2/h4-5H,1-3,6-7H2;1-2H3;2H,1H3.
What are the key properties of 5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol?
5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol has a molecular weight of 242.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol is sourced from PubChem (CID 143341688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).