dimethyl(naphthalen-1-yl)sulfanium;ethane;propane

C17H27S+ — CID 169429862

IUPACdimethyl(naphthalen-1-yl)sulfanium;ethane;propane
SMILESCC.CCC.C[S+](C)c1cccc2ccccc12
InChIInChI=1S/C12H13S.C3H8.C2H6/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;1-3-2;1-2/h3-9H,1-2H3;3H2,1-2H3;1-2H3/q+1;;
InChIKeySJFOBMIWWYUVQA-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.52
Rot. Bonds1

About dimethyl(naphthalen-1-yl)sulfanium;ethane;propane

dimethyl(naphthalen-1-yl)sulfanium;ethane;propane (PubChem CID 169429862) has the molecular formula C17H27S+ and a molecular weight of 263.47 g/mol. Its IUPAC name is dimethyl(naphthalen-1-yl)sulfanium;ethane;propane.

Molecular Properties

Compound Namedimethyl(naphthalen-1-yl)sulfanium;ethane;propane
PubChem CID169429862
Molecular FormulaC17H27S+
Molecular Weight263.47 g/mol
Exact Mass263.18
IUPAC Namedimethyl(naphthalen-1-yl)sulfanium;ethane;propane
SMILESCC.CCC.C[S+](C)c1cccc2ccccc12
InChIInChI=1S/C12H13S.C3H8.C2H6/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;1-3-2;1-2/h3-9H,1-2H3;3H2,1-2H3;1-2H3/q+1;;
InChIKeySJFOBMIWWYUVQA-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane
CID 157387022
diethyl(naphthalen-1-yl)sulfanium;fluoroform
CID 162621913
ethane;naphthalene;propane
CID 158972865
(4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium
CID 154141086
butane;chrysene;ethane
CID 143984277
butane;ethane;naphthalene
CID 91347234
butane;ethane;naphthalene
CID 91209744
butane;ethane;naphthalene
CID 54028407
butane;naphthalen-1-ol
CID 142905950
(2-ethylphenyl)-dimethylsulfanium
CID 19799696
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263

Frequently Asked Questions

What is the IUPAC name of dimethyl(naphthalen-1-yl)sulfanium;ethane;propane?
The IUPAC name of dimethyl(naphthalen-1-yl)sulfanium;ethane;propane (CID 169429862) is dimethyl(naphthalen-1-yl)sulfanium;ethane;propane.
What is the SMILES notation for dimethyl(naphthalen-1-yl)sulfanium;ethane;propane?
The canonical SMILES for dimethyl(naphthalen-1-yl)sulfanium;ethane;propane is CC.CCC.C[S+](C)c1cccc2ccccc12.
What is the InChIKey of dimethyl(naphthalen-1-yl)sulfanium;ethane;propane?
The InChIKey is SJFOBMIWWYUVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13S.C3H8.C2H6/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;1-3-2;1-2/h3-9H,1-2H3;3H2,1-2H3;1-2H3/q+1;;.
What are the key properties of dimethyl(naphthalen-1-yl)sulfanium;ethane;propane?
dimethyl(naphthalen-1-yl)sulfanium;ethane;propane has a molecular weight of 263.47 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(naphthalen-1-yl)sulfanium;ethane;propane is sourced from PubChem (CID 169429862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).