ethyl-hexyl-methylsulfanium

C9H21S+ — CID 117059410

IUPACethyl-hexyl-methylsulfanium
SMILESCCCCCC[S+](C)CC
InChIInChI=1S/C9H21S/c1-4-6-7-8-9-10(3)5-2/h4-9H2,1-3H3/q+1
InChIKeyVYWJSMXVLYQVDL-UHFFFAOYSA-N
MW161.33 g/mol
LogP2.83
Rot. Bonds6

About ethyl-hexyl-methylsulfanium

ethyl-hexyl-methylsulfanium (PubChem CID 117059410) has the molecular formula C9H21S+ and a molecular weight of 161.33 g/mol. Its IUPAC name is ethyl-hexyl-methylsulfanium.

Molecular Properties

Compound Nameethyl-hexyl-methylsulfanium
PubChem CID117059410
Molecular FormulaC9H21S+
Molecular Weight161.33 g/mol
Exact Mass161.14
IUPAC Nameethyl-hexyl-methylsulfanium
SMILESCCCCCC[S+](C)CC
InChIInChI=1S/C9H21S/c1-4-6-7-8-9-10(3)5-2/h4-9H2,1-3H3/q+1
InChIKeyVYWJSMXVLYQVDL-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methyl-octadecyl-octylsulfanium
CID 88709948
methyl(dioctyl)sulfanium tetrafluoroborate
CID 139757759
dimethyl(tetradecyl)sulfanium bromide
CID 158828047
dodecyl(dimethyl)sulfanium bromide
CID 24745202
trioctylsulfanium
CID 21452185
hexyl(dipentyl)sulfanium
CID 141102633
heptadecane;hydrazine
CID 174880698
butane;pentakis(heptane);methane
CID 160660769
butane;ethane;heptane
CID 143121250
hydrazine;pentadecane
CID 174880620
triethyl-[4-[ethyl(methyl)sulfonio]butyl]azanium
CID 21150151
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250

Frequently Asked Questions

What is the IUPAC name of ethyl-hexyl-methylsulfanium?
The IUPAC name of ethyl-hexyl-methylsulfanium (CID 117059410) is ethyl-hexyl-methylsulfanium.
What is the SMILES notation for ethyl-hexyl-methylsulfanium?
The canonical SMILES for ethyl-hexyl-methylsulfanium is CCCCCC[S+](C)CC.
What is the InChIKey of ethyl-hexyl-methylsulfanium?
The InChIKey is VYWJSMXVLYQVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21S/c1-4-6-7-8-9-10(3)5-2/h4-9H2,1-3H3/q+1.
What are the key properties of ethyl-hexyl-methylsulfanium?
ethyl-hexyl-methylsulfanium has a molecular weight of 161.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hexyl-methylsulfanium is sourced from PubChem (CID 117059410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).