dimethyl(oxan-2-yl)sulfanium

C7H15OS+ — CID 86175137

IUPACdimethyl(oxan-2-yl)sulfanium
SMILESC[S+](C)C1CCCCO1
InChIInChI=1S/C7H15OS/c1-9(2)7-5-3-4-6-8-7/h7H,3-6H2,1-2H3/q+1
InChIKeyLATYMRURJLNRDH-UHFFFAOYSA-N
MW147.26 g/mol
LogP1.39
Rot. Bonds1

About dimethyl(oxan-2-yl)sulfanium

dimethyl(oxan-2-yl)sulfanium (PubChem CID 86175137) has the molecular formula C7H15OS+ and a molecular weight of 147.26 g/mol. Its IUPAC name is dimethyl(oxan-2-yl)sulfanium.

Molecular Properties

Compound Namedimethyl(oxan-2-yl)sulfanium
PubChem CID86175137
Molecular FormulaC7H15OS+
Molecular Weight147.26 g/mol
Exact Mass147.08
IUPAC Namedimethyl(oxan-2-yl)sulfanium
SMILESC[S+](C)C1CCCCO1
InChIInChI=1S/C7H15OS/c1-9(2)7-5-3-4-6-8-7/h7H,3-6H2,1-2H3/q+1
InChIKeyLATYMRURJLNRDH-UHFFFAOYSA-N
XLogP1.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.26
LogP ≤ 51.39
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

cis-2-Methyl-4-propyl-1,3-oxathiane
CID 101010
2-Methyl-4-propyl-1,3-oxathiane, trans-
CID 6931726
2-Pentyl-4-propyl-1,3-oxathiane
CID 20514321
2-Methyl-1,3-oxathiane
CID 542685
(2R,4S)-2-methyl-4-propyl-1,3-oxathiane
CID 6931725
1,3-Oxathiane, 2-methyl-4-propyl-, (2R,4S)-rel-
CID 6931728
(r,s)-2-Methylsulfanyl-tetrahydro-pyran
CID 58779848
4-(Methylsulfanyl)oxane
CID 54181372
4,6-Dimethyl-1,3-oxathiane
CID 140927
Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester
CID 538219
2-Ethylsulfanyloxane
CID 543742
2H-Pyran, tetrahydro-2-(methylthio)-
CID 558906

Frequently Asked Questions

What is the IUPAC name of dimethyl(oxan-2-yl)sulfanium?
The IUPAC name of dimethyl(oxan-2-yl)sulfanium (CID 86175137) is dimethyl(oxan-2-yl)sulfanium.
What is the SMILES notation for dimethyl(oxan-2-yl)sulfanium?
The canonical SMILES for dimethyl(oxan-2-yl)sulfanium is C[S+](C)C1CCCCO1.
What is the InChIKey of dimethyl(oxan-2-yl)sulfanium?
The InChIKey is LATYMRURJLNRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15OS/c1-9(2)7-5-3-4-6-8-7/h7H,3-6H2,1-2H3/q+1.
What are the key properties of dimethyl(oxan-2-yl)sulfanium?
dimethyl(oxan-2-yl)sulfanium has a molecular weight of 147.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(oxan-2-yl)sulfanium is sourced from PubChem (CID 86175137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).