200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 20893-01-0
20893-01-0 | Propanedinitrile, 2-[[[(4-methylphenyl)sulfonyl]oxy]imino]-
CAS No: 20893-01-0 Catalog No: AG002JYT MDL No:MFCD00001849
Product Description
Catalog Number:
AG002JYT
Chemical Name:
Propanedinitrile, 2-[[[(4-methylphenyl)sulfonyl]oxy]imino]-
CAS Number:
20893-01-0
Molecular Formula:
C10H7N3O3S
Molecular Weight:
249.2459
MDL Number:
MFCD00001849
IUPAC Name:
(dicyanomethylideneamino) 4-methylbenzenesulfonate
InChI:
InChI=1S/C10H7N3O3S/c1-8-2-4-10(5-3-8)17(14,15)16-13-9(6-11)7-12/h2-5H,1H3
InChI Key:
XNCHCTURBIVYBC-UHFFFAOYSA-N
SMILES:
N#CC(=NOS(=O)(=O)c1ccc(cc1)C)C#N
EC Number:
244-103-0
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.021g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.244g/mol
Monoisotopic Mass:
249.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.