(E)-2-methoxy-1-methylsulfanylbut-2-ene

C6H12OS — CID 12723547

IUPAC(E)-2-methoxy-1-methylsulfanylbut-2-ene
SMILESC/C=C(\CSC)OC
InChIInChI=1S/C6H12OS/c1-4-6(7-2)5-8-3/h4H,5H2,1-3H3/b6-4+
InChIKeyBRYQMGWJVGWFGC-GQCTYLIASA-N
MW132.23 g/mol
LogP1.90
Rot. Bonds3

About (E)-2-methoxy-1-methylsulfanylbut-2-ene

(E)-2-methoxy-1-methylsulfanylbut-2-ene (PubChem CID 12723547) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (E)-2-methoxy-1-methylsulfanylbut-2-ene.

Molecular Properties

Compound Name(E)-2-methoxy-1-methylsulfanylbut-2-ene
PubChem CID12723547
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(E)-2-methoxy-1-methylsulfanylbut-2-ene
SMILESC/C=C(\CSC)OC
InChIInChI=1S/C6H12OS/c1-4-6(7-2)5-8-3/h4H,5H2,1-3H3/b6-4+
InChIKeyBRYQMGWJVGWFGC-GQCTYLIASA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,3,6-Trimethyl-1,4-oxathiine
CID 13618525
(Z)-1-ethoxy-1-ethylsulfanylprop-1-ene
CID 134987287
2-Methoxyprop-2-enyl(dimethyl)sulfanium
CID 59553922
3-methoxy-2H-thiopyran
CID 70400228
3-Methylsulfanyl-1-propoxyprop-1-ene
CID 123221448
2-Methoxyprop-2-enyl-methyl-methylidene-lambda4-sulfane
CID 123332831
(E)-3-methoxy-5-methylsulfanylpent-2-ene
CID 143866458
3-Ethylsulfanyl-2-methoxyprop-1-ene
CID 10855496
(Z)-1-ethylsulfanyl-3-methoxybut-2-ene
CID 12723531
(Z)-3-ethoxy-1-ethylsulfanylbut-2-ene
CID 12723532
(Z)-3-methoxy-1-methylsulfanylbut-2-ene
CID 12723535
(Z)-1-methoxy-3-methylsulfanylprop-1-ene
CID 21765804

Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxy-1-methylsulfanylbut-2-ene?
The IUPAC name of (E)-2-methoxy-1-methylsulfanylbut-2-ene (CID 12723547) is (E)-2-methoxy-1-methylsulfanylbut-2-ene.
What is the SMILES notation for (E)-2-methoxy-1-methylsulfanylbut-2-ene?
The canonical SMILES for (E)-2-methoxy-1-methylsulfanylbut-2-ene is C/C=C(\CSC)OC.
What is the InChIKey of (E)-2-methoxy-1-methylsulfanylbut-2-ene?
The InChIKey is BRYQMGWJVGWFGC-GQCTYLIASA-N. The full InChI is InChI=1S/C6H12OS/c1-4-6(7-2)5-8-3/h4H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-2-methoxy-1-methylsulfanylbut-2-ene?
(E)-2-methoxy-1-methylsulfanylbut-2-ene has a molecular weight of 132.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxy-1-methylsulfanylbut-2-ene is sourced from PubChem (CID 12723547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).