ethenyl(dimethyl)sulfanium bromide

C4H9BrS — CID 19360990

IUPACethenyl(dimethyl)sulfanium bromide
SMILESC=C[S+](C)C.[Br-]
InChIInChI=1S/C4H9S.BrH/c1-4-5(2)3;/h4H,1H2,2-3H3;1H/q+1;/p-1
InChIKeyFJGRWWNDXHSNNA-UHFFFAOYSA-M
MW169.09 g/mol
LogP-1.99
Rot. Bonds1

About ethenyl(dimethyl)sulfanium bromide

ethenyl(dimethyl)sulfanium bromide (PubChem CID 19360990) has the molecular formula C4H9BrS and a molecular weight of 169.09 g/mol. Its IUPAC name is ethenyl(dimethyl)sulfanium bromide.

Molecular Properties

Compound Nameethenyl(dimethyl)sulfanium bromide
PubChem CID19360990
Molecular FormulaC4H9BrS
Molecular Weight169.09 g/mol
Exact Mass167.96
IUPAC Nameethenyl(dimethyl)sulfanium bromide
SMILESC=C[S+](C)C.[Br-]
InChIInChI=1S/C4H9S.BrH/c1-4-5(2)3;/h4H,1H2,2-3H3;1H/q+1;/p-1
InChIKeyFJGRWWNDXHSNNA-UHFFFAOYSA-M
XLogP-1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.09
LogP ≤ 5-1.99
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

Ethyl Vinyl Sulfide
CID 12320
Propane, 2-ethenylthio-
CID 140443
(Z)-1,2-Dimethylthioethene
CID 5463511
(E)-Ethylene, 1,2-bis(methylthio)-
CID 5370886
1,2-Bis(ethylthio)ethene
CID 5372988
1,2-Bis(methylthio)ethene
CID 136584
1,2-Bis(ethylsulfanyl)ethene
CID 139669
Ethenyl(dimethyl)sulfanium
CID 10952891
Ethenyl(dimethyl)sulfanium iodide
CID 10987670
Allenyldimethylsulfonium bromide
CID 14658859
Dimethyl-vinyl-sulfonium iodide
CID 14942447
Dimethyl-1,2-propadien-1-yl sulfonium bromide
CID 18317638

Frequently Asked Questions

What is the IUPAC name of ethenyl(dimethyl)sulfanium bromide?
The IUPAC name of ethenyl(dimethyl)sulfanium bromide (CID 19360990) is ethenyl(dimethyl)sulfanium bromide.
What is the SMILES notation for ethenyl(dimethyl)sulfanium bromide?
The canonical SMILES for ethenyl(dimethyl)sulfanium bromide is C=C[S+](C)C.[Br-].
What is the InChIKey of ethenyl(dimethyl)sulfanium bromide?
The InChIKey is FJGRWWNDXHSNNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9S.BrH/c1-4-5(2)3;/h4H,1H2,2-3H3;1H/q+1;/p-1.
What are the key properties of ethenyl(dimethyl)sulfanium bromide?
ethenyl(dimethyl)sulfanium bromide has a molecular weight of 169.09 g/mol, XLogP of -1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(dimethyl)sulfanium bromide is sourced from PubChem (CID 19360990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).