3-(Methylsulfonyl)-1-propyne

Inquiry

Molecular Formula:

C4H6O2S

Molecular Weight:

118.15

CAS Number:

111247-76-8

Catalog Number:

111247-76-8

Product Information

Molecular Formula:

C4H6O2S

Molecular Weight:

118.15

Description

3-(Methylsulfonyl)-1-propyne is a highly efficacious biopharmaceutical compound that demonstrates remarkable therapeutic capabilities in combatting select malignancies and autoimmune disorders. Its pharmacodynamic characteristics involve the precise targeting of intricate molecular cascades implicated in neoplastic proliferation and inflammatory processes, effectively impeding their advancement.

Synonyms

3-methylsulfonylprop-1-yne; 1-methanesulfonyl-2-propyne; 3-(Methylsulfonyl)-1-propyne; SCHEMBL1484508; ALPBMPMAKKNWNA-UHFFFAOYSA-N; MolPort-008-637-729

IUPAC Name

3-methylsulfonylprop-1-yne

Canonical SMILES

CS(=O)(=O)CC#C

InChI

InChI=1S/C4H6O2S/c1-3-4-7(2,5)6/h1H,4H2,2H3

InChI Key

ALPBMPMAKKNWNA-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

95%

Density

1.224 g/mL at 25 °C

Refractive Index

n20/D 1.485

Safety Information

Hazards

H317

Precautionary Statement

P280

Computed Properties

XLogP3

-0.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

118.00885060 g/mol

Monoisotopic Mass

118.00885060 g/mol

Topological Polar Surface Area

42.5Å²

Heavy Atom Count

Formal Charge

Complexity

174

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113131000-A	Carbonate electrolyte and metal lithium battery	2021-04-19
DE-102019100504-A1	Deuterated electrolyte solvents	2018-01-12
US-10461368-B2	Deuterated electrolyte solvents	2018-01-12
US-2019221888-A1	Deuterated electrolyte solvents	2018-01-12
EP-3472151-A1	Carbocyclic prolinamide derivatives	2016-06-21
JP-2019518800-A	Carbocyclic prolinamide derivatives	2016-06-21
US-10526315-B2	Carbocyclic prolinamide derivatives	2016-06-21
US-2019202810-A1	Carbocyclic prolinamide derivatives	2016-06-21
WO-2017222914-A1	Carbocyclic prolinamide derivatives	2016-06-21
US-2020385362-A1	Carbocyclic prolinamide derivatives	2016-06-21

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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