3-(Methylsulfonyl)-1-propyne
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
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 |
