ethenyl-methyl-(oxan-2-yl)sulfanium

C8H15OS+ — CID 158507880

IUPACethenyl-methyl-(oxan-2-yl)sulfanium
SMILESC=C[S+](C)C1CCCCO1
InChIInChI=1S/C8H15OS/c1-3-10(2)8-6-4-5-7-9-8/h3,8H,1,4-7H2,2H3/q+1
InChIKeyHKRJKIWBABNIKW-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.90
Rot. Bonds2

About ethenyl-methyl-(oxan-2-yl)sulfanium

ethenyl-methyl-(oxan-2-yl)sulfanium (PubChem CID 158507880) has the molecular formula C8H15OS+ and a molecular weight of 159.27 g/mol. Its IUPAC name is ethenyl-methyl-(oxan-2-yl)sulfanium.

Molecular Properties

Compound Nameethenyl-methyl-(oxan-2-yl)sulfanium
PubChem CID158507880
Molecular FormulaC8H15OS+
Molecular Weight159.27 g/mol
Exact Mass159.08
IUPAC Nameethenyl-methyl-(oxan-2-yl)sulfanium
SMILESC=C[S+](C)C1CCCCO1
InChIInChI=1S/C8H15OS/c1-3-10(2)8-6-4-5-7-9-8/h3,8H,1,4-7H2,2H3/q+1
InChIKeyHKRJKIWBABNIKW-UHFFFAOYSA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(r,s)-2-Methylsulfanyl-tetrahydro-pyran
CID 58779848
4-(Methylsulfanyl)oxane
CID 54181372
2-Ethylsulfanyloxane
CID 543742
2H-Pyran, tetrahydro-2-(methylthio)-
CID 558906
2-Butylsulfanyloxane
CID 558914
3-(methylthio)tetrahydro-2H-pyran
CID 13863160
2-Propylsulfanyloxane
CID 15557896
2H-Pyran, tetrahydro-2-(isopropylthio)-
CID 543304
(3S)-3-methylsulfanyloxane
CID 15939412
(2S)-2-ethylsulfanyloxane
CID 97547296
(2R)-2-methylsulfanyloxane
CID 135022400
2-Pentylsulfanyloxane
CID 10879428

Frequently Asked Questions

What is the IUPAC name of ethenyl-methyl-(oxan-2-yl)sulfanium?
The IUPAC name of ethenyl-methyl-(oxan-2-yl)sulfanium (CID 158507880) is ethenyl-methyl-(oxan-2-yl)sulfanium.
What is the SMILES notation for ethenyl-methyl-(oxan-2-yl)sulfanium?
The canonical SMILES for ethenyl-methyl-(oxan-2-yl)sulfanium is C=C[S+](C)C1CCCCO1.
What is the InChIKey of ethenyl-methyl-(oxan-2-yl)sulfanium?
The InChIKey is HKRJKIWBABNIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15OS/c1-3-10(2)8-6-4-5-7-9-8/h3,8H,1,4-7H2,2H3/q+1.
What are the key properties of ethenyl-methyl-(oxan-2-yl)sulfanium?
ethenyl-methyl-(oxan-2-yl)sulfanium has a molecular weight of 159.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methyl-(oxan-2-yl)sulfanium is sourced from PubChem (CID 158507880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).