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

C12H20OS — CID 143533216

IUPAC5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene
SMILESC=C.CC/C=C\C1=C(C)CCS(=O)C1
InChIInChI=1S/C10H16OS.C2H4/c1-3-4-5-10-8-12(11)7-6-9(10)2;1-2/h4-5H,3,6-8H2,1-2H3;1-2H2/b5-4-;
InChIKeyUCKYIVINNGCIJK-MKWAYWHRSA-N
MW212.36 g/mol
LogP3.22
Rot. Bonds2

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

5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene (PubChem CID 143533216) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene
PubChem CID143533216
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene
SMILESC=C.CC/C=C\C1=C(C)CCS(=O)C1
InChIInChI=1S/C10H16OS.C2H4/c1-3-4-5-10-8-12(11)7-6-9(10)2;1-2/h4-5H,3,6-8H2,1-2H3;1-2H2/b5-4-;
InChIKeyUCKYIVINNGCIJK-MKWAYWHRSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.22
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

Dimethyl-thio-pyron
CID 129638026
Methyl thiopyrone
CID 129761118
Lithium ethylsulfanylmethylbenzene
CID 14939640
1-Methyl 4-methylphenyl 3-(trimethylstannyl)propyl sulfone
CID 129767083
3-Methylidene-6-(octylsulfinylmethylidene)cyclohexa-1,4-diene
CID 134888091
(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 134994578
4-Methyl-5-prop-1-enyl-2,3-dihydrothiophene 1,1-dioxide
CID 6421260
(2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 15318730
4-methyl-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 21762577
6-tert-butyl-2,4-dimethyl-2H-thiopyran
CID 121218619
5-Ethenylsulfinyl-5-methylcyclohexa-1,3-diene
CID 19363778
1-[(E)-4-methylsulfinylbut-1-enyl]cyclohexene
CID 20320907

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene?
The IUPAC name of 5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene (CID 143533216) is 5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene?
The canonical SMILES for 5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene is C=C.CC/C=C\C1=C(C)CCS(=O)C1.
What is the InChIKey of 5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene?
The InChIKey is UCKYIVINNGCIJK-MKWAYWHRSA-N. The full InChI is InChI=1S/C10H16OS.C2H4/c1-3-4-5-10-8-12(11)7-6-9(10)2;1-2/h4-5H,3,6-8H2,1-2H3;1-2H2/b5-4-;.
What are the key properties of 5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene?
5-[(Z)-but-1-enyl]-4-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene has a molecular weight of 212.36 g/mol, XLogP of 3.22, 2 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-methyl-3,6-dihydro-2H-thiopyran 1-oxide;ethene is sourced from PubChem (CID 143533216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).