200,000+ products from a single source!
sales@angenechem.com
80756-85-0 | (Z)-S-2-Benzothiazolyl-2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate
CAS No: 80756-85-0 Catalog No: AG003CPR MDL No:MFCD00071547
Product Description
Catalog Number:
AG003CPR
Chemical Name:
(Z)-S-2-Benzothiazolyl-2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate
CAS Number:
80756-85-0
Molecular Formula:
C13H10N4O2S3
Molecular Weight:
350.4391
MDL Number:
MFCD00071547
IUPAC Name:
S-(1,3-benzothiazol-2-yl) (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate
InChI:
InChI=1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)/b17-10-
InChI Key:
COFDRZLHVALCDU-YVLHZVERSA-N
SMILES:
CO/N=C(/c1csc(n1)N)\C(=O)Sc1nc2c(s1)cccc2
UNII:
96SMK1EX8X
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
349.997g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.429g/mol
Monoisotopic Mass:
349.997g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.