(2-ethylphenyl)-dimethylsulfanium

C10H15S+ — CID 19799696

IUPAC(2-ethylphenyl)-dimethylsulfanium
SMILESCCc1ccccc1[S+](C)C
InChIInChI=1S/C10H15S/c1-4-9-7-5-6-8-10(9)11(2)3/h5-8H,4H2,1-3H3/q+1
InChIKeyLQPYPUVVFAVVAY-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.49
Rot. Bonds2

About (2-ethylphenyl)-dimethylsulfanium

(2-ethylphenyl)-dimethylsulfanium (PubChem CID 19799696) has the molecular formula C10H15S+ and a molecular weight of 167.30 g/mol. Its IUPAC name is (2-ethylphenyl)-dimethylsulfanium.

Molecular Properties

Compound Name(2-ethylphenyl)-dimethylsulfanium
PubChem CID19799696
Molecular FormulaC10H15S+
Molecular Weight167.30 g/mol
Exact Mass167.09
IUPAC Name(2-ethylphenyl)-dimethylsulfanium
SMILESCCc1ccccc1[S+](C)C
InChIInChI=1S/C10H15S/c1-4-9-7-5-6-8-10(9)11(2)3/h5-8H,4H2,1-3H3/q+1
InChIKeyLQPYPUVVFAVVAY-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.49
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

1,2-diethylbenzene;hydrobromide
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dimethyl(naphthalen-1-yl)sulfanium;ethane;propane
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carbonic acid;1,2-diethylbenzene
CID 89388803
1,2-diethylbenzene;propa-1,2-diene
CID 174831347
1,2-diethylbenzene;silyloxysilane
CID 158803052
butane;ethane;1-ethyl-2-methylbenzene;methane
CID 144514138
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
ethane;2-ethylaniline
CID 90841248
1-(chloromethyl)-2-ethylbenzene
CID 524243
benzene;2-ethylphenol
CID 159726745

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-dimethylsulfanium?
The IUPAC name of (2-ethylphenyl)-dimethylsulfanium (CID 19799696) is (2-ethylphenyl)-dimethylsulfanium.
What is the SMILES notation for (2-ethylphenyl)-dimethylsulfanium?
The canonical SMILES for (2-ethylphenyl)-dimethylsulfanium is CCc1ccccc1[S+](C)C.
What is the InChIKey of (2-ethylphenyl)-dimethylsulfanium?
The InChIKey is LQPYPUVVFAVVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15S/c1-4-9-7-5-6-8-10(9)11(2)3/h5-8H,4H2,1-3H3/q+1.
What are the key properties of (2-ethylphenyl)-dimethylsulfanium?
(2-ethylphenyl)-dimethylsulfanium has a molecular weight of 167.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-dimethylsulfanium is sourced from PubChem (CID 19799696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).