5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide

C11H14OS — CID 143340938

IUPAC5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide
SMILESC=CC1=C(/C=C\C)S(=O)CC(=C)C1
InChIInChI=1S/C11H14OS/c1-4-6-11-10(5-2)7-9(3)8-13(11)12/h4-6H,2-3,7-8H2,1H3/b6-4-
InChIKeyCGTBKNUZJUCODY-XQRVVYSFSA-N
MW194.30 g/mol
LogP2.71
Rot. Bonds2

About 5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide

5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide (PubChem CID 143340938) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide.

Molecular Properties

Compound Name5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide
PubChem CID143340938
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide
SMILESC=CC1=C(/C=C\C)S(=O)CC(=C)C1
InChIInChI=1S/C11H14OS/c1-4-6-11-10(5-2)7-9(3)8-13(11)12/h4-6H,2-3,7-8H2,1H3/b6-4-
InChIKeyCGTBKNUZJUCODY-XQRVVYSFSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Butylthiopyrane oxide
CID 70256276
Dimethyl-thio-pyron
CID 129638026
3-Methyl-6-methylsulfinyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 146341592
1-Methyl 4-methylphenyl 3-(trimethylstannyl)propyl sulfone
CID 129767083
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
2-Methyl-5-(trifluoromethylsulfinyl)cyclohexa-1,3-diene
CID 162577498
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
1-Methyl-4-methylsulfonylcyclohexa-1,3-diene
CID 18695891
5-Ethenylsulfinyl-5-methylcyclohexa-1,3-diene
CID 19363778

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide?
The IUPAC name of 5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide (CID 143340938) is 5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide.
What is the SMILES notation for 5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide?
The canonical SMILES for 5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide is C=CC1=C(/C=C\C)S(=O)CC(=C)C1.
What is the InChIKey of 5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide?
The InChIKey is CGTBKNUZJUCODY-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H14OS/c1-4-6-11-10(5-2)7-9(3)8-13(11)12/h4-6H,2-3,7-8H2,1H3/b6-4-.
What are the key properties of 5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide?
5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide has a molecular weight of 194.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-thiopyran 1-oxide is sourced from PubChem (CID 143340938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).