5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol

C12H18O2S — CID 143341105

IUPAC5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol
SMILESC=CC1=C(/C=C\C)S(=O)C(=C)CC1.CO
InChIInChI=1S/C11H14OS.CH4O/c1-4-6-11-10(5-2)8-7-9(3)13(11)12;1-2/h4-6H,2-3,7-8H2,1H3;2H,1H3/b6-4-;
InChIKeyUELQBRJFULZBGO-YHSAGPEESA-N
MW226.34 g/mol
LogP2.67
Rot. Bonds2

About 5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol

5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol (PubChem CID 143341105) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol.

Molecular Properties

Compound Name5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol
PubChem CID143341105
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol
SMILESC=CC1=C(/C=C\C)S(=O)C(=C)CC1.CO
InChIInChI=1S/C11H14OS.CH4O/c1-4-6-11-10(5-2)8-7-9(3)13(11)12;1-2/h4-6H,2-3,7-8H2,1H3;2H,1H3/b6-4-;
InChIKeyUELQBRJFULZBGO-YHSAGPEESA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-bis(ethenyl)-3-methylidene-4H-thiopyran 1-oxide;ethane;methanol
CID 143341688
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfonyl-4-methylcyclohexa-1,3-diene
CID 146991717

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol?
The IUPAC name of 5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol (CID 143341105) is 5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol.
What is the SMILES notation for 5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol?
The canonical SMILES for 5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol is C=CC1=C(/C=C\C)S(=O)C(=C)CC1.CO.
What is the InChIKey of 5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol?
The InChIKey is UELQBRJFULZBGO-YHSAGPEESA-N. The full InChI is InChI=1S/C11H14OS.CH4O/c1-4-6-11-10(5-2)8-7-9(3)13(11)12;1-2/h4-6H,2-3,7-8H2,1H3;2H,1H3/b6-4-;.
What are the key properties of 5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol?
5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol has a molecular weight of 226.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methylidene-6-[(Z)-prop-1-enyl]-3,4-dihydrothiopyran 1-oxide;methanol is sourced from PubChem (CID 143341105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).