200,000+ products from a single source!
sales@angenechem.com
339021-05-5 | 3-(cyanomethanesulfonyl)-5-methyl-1,2-thiazole-4-carbonitrile
CAS No: 339021-05-5 Catalog No: AG00IVQB MDL No:MFCD00792995
Product Description
Catalog Number:
AG00IVQB
Chemical Name:
3-(cyanomethanesulfonyl)-5-methyl-1,2-thiazole-4-carbonitrile
CAS Number:
339021-05-5
Molecular Formula:
C7H5N3O2S2
Molecular Weight:
227.2635
MDL Number:
MFCD00792995
IUPAC Name:
3-(cyanomethylsulfonyl)-5-methyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C7H5N3O2S2/c1-5-6(4-9)7(10-13-5)14(11,12)3-2-8/h3H2,1H3
InChI Key:
KXQWCFQKLYEPBK-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)c1nsc(c1C#N)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.982g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.256g/mol
Monoisotopic Mass:
226.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.