200,000+ products from a single source!
sales@angenechem.com
77813-59-3 | Tetrazolo[1,5-b]pyridazine-8-carboxylic acid, 5,6-dihydro-6-thioxo-
CAS No: 77813-59-3 Catalog No: AG0057IM MDL No:
Product Description
Catalog Number:
AG0057IM
Chemical Name:
Tetrazolo[1,5-b]pyridazine-8-carboxylic acid, 5,6-dihydro-6-thioxo-
CAS Number:
77813-59-3
Molecular Formula:
C5H3N5O2S
Molecular Weight:
197.1746
IUPAC Name:
6-sulfanylidene-5H-tetrazolo[1,5-b]pyridazine-8-carboxylic acid
InChI:
InChI=1S/C5H3N5O2S/c11-5(12)2-1-3(13)7-10-4(2)6-8-9-10/h1H,(H,7,13)(H,11,12)
InChI Key:
YBWSJVQCRAVKEJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(=S)[nH]n2c1nnn2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.172g/mol
Monoisotopic Mass:
197.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.