200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 922505-41-7
922505-41-7 | Isoquinoline, 1-[(1,2,4-thiadiazol-5-ylsulfonyl)methyl]-
CAS No: 922505-41-7 Catalog No: AG006E4X MDL No:
Product Description
Catalog Number:
AG006E4X
Chemical Name:
Isoquinoline, 1-[(1,2,4-thiadiazol-5-ylsulfonyl)methyl]-
CAS Number:
922505-41-7
Molecular Formula:
C12H9N3O2S2
Molecular Weight:
291.3488
IUPAC Name:
5-(isoquinolin-1-ylmethylsulfonyl)-1,2,4-thiadiazole
InChI:
InChI=1S/C12H9N3O2S2/c16-19(17,12-14-8-15-18-12)7-11-10-4-2-1-3-9(10)5-6-13-11/h1-6,8H,7H2
InChI Key:
OLQWGXIBPOPURS-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ncns1)Cc1nccc2c1cccc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.014g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.343g/mol
Monoisotopic Mass:
291.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.