dimethyl(tetradecyl)sulfanium bromide

C16H35BrS — CID 158828047

IUPACdimethyl(tetradecyl)sulfanium bromide
SMILESCCCCCCCCCCCCCC[S+](C)C.[Br-]
InChIInChI=1S/C16H35S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;/h4-16H2,1-3H3;1H/q+1;/p-1
InChIKeyIWRPWXHFCMKJSU-UHFFFAOYSA-M
MW339.43 g/mol
LogP2.57
Rot. Bonds13

About dimethyl(tetradecyl)sulfanium bromide

dimethyl(tetradecyl)sulfanium bromide (PubChem CID 158828047) has the molecular formula C16H35BrS and a molecular weight of 339.43 g/mol. Its IUPAC name is dimethyl(tetradecyl)sulfanium bromide.

Molecular Properties

Compound Namedimethyl(tetradecyl)sulfanium bromide
PubChem CID158828047
Molecular FormulaC16H35BrS
Molecular Weight339.43 g/mol
Exact Mass338.16
IUPAC Namedimethyl(tetradecyl)sulfanium bromide
SMILESCCCCCCCCCCCCCC[S+](C)C.[Br-]
InChIInChI=1S/C16H35S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;/h4-16H2,1-3H3;1H/q+1;/p-1
InChIKeyIWRPWXHFCMKJSU-UHFFFAOYSA-M
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.57
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

dodecyl(dimethyl)sulfanium bromide
CID 24745202
methyl-octadecyl-octylsulfanium
CID 88709948
hexyl(dimethyl)sulfanium;methyl sulfate
CID 88683153
dibutyl-(4-dimethylsulfoniobutyl)-methylazanium dibromide
CID 21150057
trioctylsulfanium
CID 21452185
hexyl(dipentyl)sulfanium
CID 141102633
ethyl-hexyl-methylsulfanium
CID 117059410
butane;pentakis(heptane);methane
CID 160660769
heptadecane;hydrazine
CID 174880698
butane;ethane;heptane
CID 143121250
hydrazine;pentadecane
CID 174880620
(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 dimethyl(tetradecyl)sulfanium bromide?
The IUPAC name of dimethyl(tetradecyl)sulfanium bromide (CID 158828047) is dimethyl(tetradecyl)sulfanium bromide.
What is the SMILES notation for dimethyl(tetradecyl)sulfanium bromide?
The canonical SMILES for dimethyl(tetradecyl)sulfanium bromide is CCCCCCCCCCCCCC[S+](C)C.[Br-].
What is the InChIKey of dimethyl(tetradecyl)sulfanium bromide?
The InChIKey is IWRPWXHFCMKJSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H35S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;/h4-16H2,1-3H3;1H/q+1;/p-1.
What are the key properties of dimethyl(tetradecyl)sulfanium bromide?
dimethyl(tetradecyl)sulfanium bromide has a molecular weight of 339.43 g/mol, XLogP of 2.57, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(tetradecyl)sulfanium bromide is sourced from PubChem (CID 158828047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).