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

C15H22S — CID 157387022

IUPACcarbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane
SMILESCC.C[S+](C)c1cccc2ccccc12.[CH3-]
InChIInChI=1S/C12H13S.C2H6.CH3/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;1-2;/h3-9H,1-2H3;1-2H3;1H3/q+1;;-1
InChIKeyBLOCFGRWWUZCKY-UHFFFAOYSA-N
MW234.41 g/mol
LogP4.55
Rot. Bonds1

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

carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane (PubChem CID 157387022) has the molecular formula C15H22S and a molecular weight of 234.41 g/mol. Its IUPAC name is carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane.

Molecular Properties

Compound Namecarbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane
PubChem CID157387022
Molecular FormulaC15H22S
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Namecarbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane
SMILESCC.C[S+](C)c1cccc2ccccc12.[CH3-]
InChIInChI=1S/C12H13S.C2H6.CH3/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;1-2;/h3-9H,1-2H3;1-2H3;1H3/q+1;;-1
InChIKeyBLOCFGRWWUZCKY-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl(naphthalen-1-yl)sulfanium;ethane;propane
CID 169429862
(4-hydroxyphenyl)-methyl-naphthalen-1-ylsulfanium
CID 154141086
diethyl(naphthalen-1-yl)sulfanium;fluoroform
CID 162621913
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
dimethyl(naphthalen-1-ylmethyl)sulfanium
CID 22005433
(2-tert-butylphenyl)-dimethylsulfanium
CID 11778500
butane;chrysene;ethane
CID 143984277
butane;ethane;naphthalene
CID 91347234
butane;ethane;naphthalene
CID 91209744
butane;ethane;naphthalene
CID 54028407

Frequently Asked Questions

What is the IUPAC name of carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane?
The IUPAC name of carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane (CID 157387022) is carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane.
What is the SMILES notation for carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane?
The canonical SMILES for carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane is CC.C[S+](C)c1cccc2ccccc12.[CH3-].
What is the InChIKey of carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane?
The InChIKey is BLOCFGRWWUZCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13S.C2H6.CH3/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;1-2;/h3-9H,1-2H3;1-2H3;1H3/q+1;;-1.
What are the key properties of carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane?
carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane has a molecular weight of 234.41 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dimethyl(naphthalen-1-yl)sulfanium;ethane is sourced from PubChem (CID 157387022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).