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294668-48-7 | Thieno[2,3-e]benzothiazol-5-ol, 2-methyl- (9CI)
CAS No: 294668-48-7 Catalog No: AG00BWBH MDL No:MFCD00456559
Product Description
Catalog Number:
AG00BWBH
Chemical Name:
Thieno[2,3-e]benzothiazol-5-ol, 2-methyl- (9CI)
CAS Number:
294668-48-7
Molecular Formula:
C10H7NOS2
Molecular Weight:
221.2987
MDL Number:
MFCD00456559
IUPAC Name:
2-methylthieno[2,3-e][1,3]benzothiazol-5-ol
InChI:
InChI=1S/C10H7NOS2/c1-5-11-9-8(14-5)4-7(12)6-2-3-13-10(6)9/h2-4,12H,1H3
InChI Key:
CKCVIZASFQSRBN-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)c1sccc1c(c2)O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.292g/mol
Monoisotopic Mass:
220.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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