5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide

C11H16OS — CID 143533251

IUPAC5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide
SMILESC=CC1=C(/C=C\CC)CS(=O)CC1
InChIInChI=1S/C11H16OS/c1-3-5-6-11-9-13(12)8-7-10(11)4-2/h4-6H,2-3,7-9H2,1H3/b6-5-
InChIKeyUWEGPBGLICKKPN-WAYWQWQTSA-N
MW196.31 g/mol
LogP2.59
Rot. Bonds3

About 5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide

5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide (PubChem CID 143533251) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide
PubChem CID143533251
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide
SMILESC=CC1=C(/C=C\CC)CS(=O)CC1
InChIInChI=1S/C11H16OS/c1-3-5-6-11-9-13(12)8-7-10(11)4-2/h4-6H,2-3,7-9H2,1H3/b6-5-
InChIKeyUWEGPBGLICKKPN-WAYWQWQTSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Butylthiopyrane oxide
CID 70256276
Dimethyl-thio-pyron
CID 129638026
(E)-1-methylsulfinyl-hept-3-ene
CID 14024906
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
1-(1-Tert-butylsulfanylethyl)-4-fluorobenzene-6-ide
CID 101857950
2-Methyl-5-(trifluoromethylsulfinyl)cyclohexa-1,3-diene
CID 162577498
Butyl furfuryl sulfide
CID 528325
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-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide?
The IUPAC name of 5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide (CID 143533251) is 5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide?
The canonical SMILES for 5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide is C=CC1=C(/C=C\CC)CS(=O)CC1.
What is the InChIKey of 5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide?
The InChIKey is UWEGPBGLICKKPN-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H16OS/c1-3-5-6-11-9-13(12)8-7-10(11)4-2/h4-6H,2-3,7-9H2,1H3/b6-5-.
What are the key properties of 5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide?
5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide has a molecular weight of 196.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-4-ethenyl-3,6-dihydro-2H-thiopyran 1-oxide is sourced from PubChem (CID 143533251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).