ethyl-methyl-naphthalen-2-ylsulfanium

C13H15S+ — CID 58965275

IUPACethyl-methyl-naphthalen-2-ylsulfanium
SMILESCC[S+](C)c1ccc2ccccc2c1
InChIInChI=1S/C13H15S/c1-3-14(2)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,3H2,1-2H3/q+1
InChIKeyAVJWRMHKHKYFBT-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.47
Rot. Bonds2

About ethyl-methyl-naphthalen-2-ylsulfanium

ethyl-methyl-naphthalen-2-ylsulfanium (PubChem CID 58965275) has the molecular formula C13H15S+ and a molecular weight of 203.33 g/mol. Its IUPAC name is ethyl-methyl-naphthalen-2-ylsulfanium.

Molecular Properties

Compound Nameethyl-methyl-naphthalen-2-ylsulfanium
PubChem CID58965275
Molecular FormulaC13H15S+
Molecular Weight203.33 g/mol
Exact Mass203.09
IUPAC Nameethyl-methyl-naphthalen-2-ylsulfanium
SMILESCC[S+](C)c1ccc2ccccc2c1
InChIInChI=1S/C13H15S/c1-3-14(2)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,3H2,1-2H3/q+1
InChIKeyAVJWRMHKHKYFBT-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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

butane;ethane;naphthalene
CID 91347234
butane;ethane;naphthalene
CID 91209744
butane;ethane;naphthalene
CID 54028407
butane;naphthalen-2-ylphosphane
CID 174828877
butane;ethane;methylsulfanylmethane;naphthalene
CID 91446490
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
ethane;2-ethylnaphthalene
CID 90684887
anthracene;ethane;naphthalene
CID 159079166
ethane;naphthalene;propane
CID 158972865
anthracene;naphthalene;phenanthrene
CID 158591187
butane;2-methylanthracene
CID 90696557
2-ethoxynaphthalene
CID 118978197

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-naphthalen-2-ylsulfanium?
The IUPAC name of ethyl-methyl-naphthalen-2-ylsulfanium (CID 58965275) is ethyl-methyl-naphthalen-2-ylsulfanium.
What is the SMILES notation for ethyl-methyl-naphthalen-2-ylsulfanium?
The canonical SMILES for ethyl-methyl-naphthalen-2-ylsulfanium is CC[S+](C)c1ccc2ccccc2c1.
What is the InChIKey of ethyl-methyl-naphthalen-2-ylsulfanium?
The InChIKey is AVJWRMHKHKYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15S/c1-3-14(2)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,3H2,1-2H3/q+1.
What are the key properties of ethyl-methyl-naphthalen-2-ylsulfanium?
ethyl-methyl-naphthalen-2-ylsulfanium has a molecular weight of 203.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-naphthalen-2-ylsulfanium is sourced from PubChem (CID 58965275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).