sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos 3-(methylsulfonyl)propanenitrile

3-(methylsulfonyl)propanenitrile

CAS No.:
54863-37-5
Catalog Number:
AG01C0CZ
Molecular Formula:
C4H7NO2S
Molecular Weight:
133.1689
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C0CZ
Chemical Name:
3-(methylsulfonyl)propanenitrile
CAS Number:
54863-37-5
Molecular Formula:
C4H7NO2S
Molecular Weight:
133.1689
MDL Number:
MFCD11934305
IUPAC Name:
3-methylsulfonylpropanenitrile
InChI:
InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3
InChI Key:
LQFRYKBDZNPJSW-UHFFFAOYSA-N
SMILES:
N#CCCS(=O)(=O)C
UNII:
2Z03364G96
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.02g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.165g/mol
Monoisotopic Mass:
133.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
OLT1177, a β-sulfonyl nitrile compound, safe in humans, inhibits the NLRP3 inflammasome and reverses the metabolic cost of inflammation. Proceedings of the National Academy of Sciences of the United States of America 20180213
NLRP3: A Novel Mediator in Cardiovascular Disease. Journal of immunology research 20180101
NLRP3 inflammasome inhibitor OLT1177 suppresses joint inflammation in murine models of acute arthritis. Arthritis research & therapy 20180101
Properties