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2941-72-2 | 6-Methoxy-2-methylbenzo[d]thiazole
CAS No: 2941-72-2 Catalog No: AG003N9F MDL No:MFCD00005795
Product Description
Catalog Number:
AG003N9F
Chemical Name:
6-Methoxy-2-methylbenzo[d]thiazole
CAS Number:
2941-72-2
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD00005795
IUPAC Name:
6-methoxy-2-methyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NOS/c1-6-10-8-4-3-7(11-2)5-9(8)12-6/h3-5H,1-2H3
InChI Key:
DYHLJSUORLPGNT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)C
EC Number:
220-931-8
NSC Number:
93804
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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