dimethyl(naphthalen-1-ylmethyl)sulfanium

C13H15S+ — CID 22005433

IUPACdimethyl(naphthalen-1-ylmethyl)sulfanium
SMILESC[S+](C)Cc1cccc2ccccc12
InChIInChI=1S/C13H15S/c1-14(2)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3/q+1
InChIKeyGFNMYYHDLDCITI-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.22
Rot. Bonds2

About dimethyl(naphthalen-1-ylmethyl)sulfanium

dimethyl(naphthalen-1-ylmethyl)sulfanium (PubChem CID 22005433) has the molecular formula C13H15S+ and a molecular weight of 203.33 g/mol. Its IUPAC name is dimethyl(naphthalen-1-ylmethyl)sulfanium.

Molecular Properties

Compound Namedimethyl(naphthalen-1-ylmethyl)sulfanium
PubChem CID22005433
Molecular FormulaC13H15S+
Molecular Weight203.33 g/mol
Exact Mass203.09
IUPAC Namedimethyl(naphthalen-1-ylmethyl)sulfanium
SMILESC[S+](C)Cc1cccc2ccccc12
InChIInChI=1S/C13H15S/c1-14(2)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3/q+1
InChIKeyGFNMYYHDLDCITI-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.22
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

(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium chloride
CID 18959076
azane;1-ethylnaphthalene
CID 19048185
CID 66760372
CID 66760372
sodium;1-ethylnaphthalene;hydride
CID 174300793
hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
CID 19969039
CID 57419547
CID 57419547
hexafluoroantimony(1-);(4-methoxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
CID 19969018
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
bis(naphthalen-1-ylmethyl)azanium
CID 4663788
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
1-ethylnaphthalene;pyrene
CID 174849884
ethane;2-naphthalen-1-ylethanol
CID 145119048

Frequently Asked Questions

What is the IUPAC name of dimethyl(naphthalen-1-ylmethyl)sulfanium?
The IUPAC name of dimethyl(naphthalen-1-ylmethyl)sulfanium (CID 22005433) is dimethyl(naphthalen-1-ylmethyl)sulfanium.
What is the SMILES notation for dimethyl(naphthalen-1-ylmethyl)sulfanium?
The canonical SMILES for dimethyl(naphthalen-1-ylmethyl)sulfanium is C[S+](C)Cc1cccc2ccccc12.
What is the InChIKey of dimethyl(naphthalen-1-ylmethyl)sulfanium?
The InChIKey is GFNMYYHDLDCITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15S/c1-14(2)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10H2,1-2H3/q+1.
What are the key properties of dimethyl(naphthalen-1-ylmethyl)sulfanium?
dimethyl(naphthalen-1-ylmethyl)sulfanium has a molecular weight of 203.33 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(naphthalen-1-ylmethyl)sulfanium is sourced from PubChem (CID 22005433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).