3-(Methylsulfonyl)-1-propyne

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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
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
118.00885060 g/mol
Monoisotopic Mass
118.00885060 g/mol
Topological Polar Surface Area
42.5Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
174
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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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