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872696-09-8 | 2-Hydrazino-4-methoxy-7-methyl-1,3-benzothiazole
CAS No: 872696-09-8 Catalog No: AG01AQZD MDL No:MFCD04448814
Product Description
Catalog Number:
AG01AQZD
Chemical Name:
2-Hydrazino-4-methoxy-7-methyl-1,3-benzothiazole
CAS Number:
872696-09-8
Molecular Formula:
C9H11N3OS
Molecular Weight:
209.2681
MDL Number:
MFCD04448814
IUPAC Name:
(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)hydrazine
InChI:
InChI=1S/C9H11N3OS/c1-5-3-4-6(13-2)7-8(5)14-9(11-7)12-10/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key:
LRUQUJZBMXVMSF-UHFFFAOYSA-N
SMILES:
NNc1sc2c(n1)c(OC)ccc2C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.267g/mol
Monoisotopic Mass:
209.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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