ethenyl(methyl)sulfanium bromide

C3H7BrS — CID 161070782

IUPACethenyl(methyl)sulfanium bromide
SMILESC=C[SH+]C.[Br-]
InChIInChI=1S/C3H6S.BrH/c1-3-4-2;/h3H,1H2,2H3;1H
InChIKeyUEPWFAUQOSVQGY-UHFFFAOYSA-N
MW155.06 g/mol
LogP-2.42
Rot. Bonds1

About ethenyl(methyl)sulfanium bromide

ethenyl(methyl)sulfanium bromide (PubChem CID 161070782) has the molecular formula C3H7BrS and a molecular weight of 155.06 g/mol. Its IUPAC name is ethenyl(methyl)sulfanium bromide.

Molecular Properties

Compound Nameethenyl(methyl)sulfanium bromide
PubChem CID161070782
Molecular FormulaC3H7BrS
Molecular Weight155.06 g/mol
Exact Mass153.95
IUPAC Nameethenyl(methyl)sulfanium bromide
SMILESC=C[SH+]C.[Br-]
InChIInChI=1S/C3H6S.BrH/c1-3-4-2;/h3H,1H2,2H3;1H
InChIKeyUEPWFAUQOSVQGY-UHFFFAOYSA-N
XLogP-2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.06
LogP ≤ 5-2.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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prop-1-ene;titanium(4+);tribromide
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prop-1-ene
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CID 174896801
CID 174896801
prop-1-ene;hydrochloride
CID 19097823
bis(prop-1-ene);hydrate
CID 21257591
prop-1-ene;zinc
CID 86166625
prop-1-ene;titanium(2+)
CID 20517449
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
molybdenum(3+);tris(prop-1-ene)
CID 18615392

Frequently Asked Questions

What is the IUPAC name of ethenyl(methyl)sulfanium bromide?
The IUPAC name of ethenyl(methyl)sulfanium bromide (CID 161070782) is ethenyl(methyl)sulfanium bromide.
What is the SMILES notation for ethenyl(methyl)sulfanium bromide?
The canonical SMILES for ethenyl(methyl)sulfanium bromide is C=C[SH+]C.[Br-].
What is the InChIKey of ethenyl(methyl)sulfanium bromide?
The InChIKey is UEPWFAUQOSVQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S.BrH/c1-3-4-2;/h3H,1H2,2H3;1H.
What are the key properties of ethenyl(methyl)sulfanium bromide?
ethenyl(methyl)sulfanium bromide has a molecular weight of 155.06 g/mol, XLogP of -2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(methyl)sulfanium bromide is sourced from PubChem (CID 161070782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).