200,000+ products from a single source!
sales@angenechem.com
876-77-7 | 8-BROMO-4-CINNOLINETHIOL
CAS No: 876-77-7 Catalog No: AG004KEJ MDL No:
Product Description
Catalog Number:
AG004KEJ
Chemical Name:
8-BROMO-4-CINNOLINETHIOL
CAS Number:
876-77-7
Molecular Formula:
C8H5BrN2S
Molecular Weight:
241.1077
IUPAC Name:
8-bromo-1H-cinnoline-4-thione
InChI:
InChI=1S/C8H5BrN2S/c9-6-3-1-2-5-7(12)4-10-11-8(5)6/h1-4H,(H,11,12)
InChI Key:
KDAMYESJSRVPHW-UHFFFAOYSA-N
SMILES:
Sc1cnnc2c1cccc2Br
NSC Number:
77849
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.936g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.106g/mol
Monoisotopic Mass:
239.936g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.