dimethyl-(2-methylsulfanylcyclooctyl)sulfanium

C11H23S2+ — CID 3879450

IUPACdimethyl-(2-methylsulfanylcyclooctyl)sulfanium
SMILESCSC1CCCCCCC1[S+](C)C
InChIInChI=1S/C11H23S2/c1-12-10-8-6-4-5-7-9-11(10)13(2)3/h10-11H,4-9H2,1-3H3/q+1
InChIKeyNJKRWUBJISXOIC-UHFFFAOYSA-N
MW219.44 g/mol
LogP3.32
Rot. Bonds2

About dimethyl-(2-methylsulfanylcyclooctyl)sulfanium

dimethyl-(2-methylsulfanylcyclooctyl)sulfanium (PubChem CID 3879450) has the molecular formula C11H23S2+ and a molecular weight of 219.44 g/mol. Its IUPAC name is dimethyl-(2-methylsulfanylcyclooctyl)sulfanium.

Molecular Properties

Compound Namedimethyl-(2-methylsulfanylcyclooctyl)sulfanium
PubChem CID3879450
Molecular FormulaC11H23S2+
Molecular Weight219.44 g/mol
Exact Mass219.12
IUPAC Namedimethyl-(2-methylsulfanylcyclooctyl)sulfanium
SMILESCSC1CCCCCCC1[S+](C)C
InChIInChI=1S/C11H23S2/c1-12-10-8-6-4-5-7-9-11(10)13(2)3/h10-11H,4-9H2,1-3H3/q+1
InChIKeyNJKRWUBJISXOIC-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-1-fluoro-2-methylsulfanylcyclododecane
CID 14113329
(1R)-2-methylsulfanylcyclohexan-1-ol
CID 130694561
2-methylsulfanylcyclohexane-1-thiol
CID 88978519
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
2-methylsulfanylcycloheptane-1-carboxylic acid
CID 63098267
2,6-bis(methylsulfanyl)cyclohexan-1-ol
CID 130142292
2-methylsulfanylcyclopentane-1-thiol
CID 88978520
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
1-(methoxymethyl)-2-methylsulfanylcyclohexane
CID 126590788
methanamine;methylsulfanylcyclohexane
CID 143239211
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylsulfanylcyclooctyl)sulfanium?
The IUPAC name of dimethyl-(2-methylsulfanylcyclooctyl)sulfanium (CID 3879450) is dimethyl-(2-methylsulfanylcyclooctyl)sulfanium.
What is the SMILES notation for dimethyl-(2-methylsulfanylcyclooctyl)sulfanium?
The canonical SMILES for dimethyl-(2-methylsulfanylcyclooctyl)sulfanium is CSC1CCCCCCC1[S+](C)C.
What is the InChIKey of dimethyl-(2-methylsulfanylcyclooctyl)sulfanium?
The InChIKey is NJKRWUBJISXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23S2/c1-12-10-8-6-4-5-7-9-11(10)13(2)3/h10-11H,4-9H2,1-3H3/q+1.
What are the key properties of dimethyl-(2-methylsulfanylcyclooctyl)sulfanium?
dimethyl-(2-methylsulfanylcyclooctyl)sulfanium has a molecular weight of 219.44 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylsulfanylcyclooctyl)sulfanium is sourced from PubChem (CID 3879450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).