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3507-26-4 | 2-Chloro-6-methylbenzo[d]thiazole
CAS No: 3507-26-4 Catalog No: AG003H0S MDL No:MFCD04448821
Product Description
Catalog Number:
AG003H0S
Chemical Name:
2-Chloro-6-methylbenzo[d]thiazole
CAS Number:
3507-26-4
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD04448821
IUPAC Name:
2-chloro-6-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H6ClNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3
InChI Key:
PAKSGYIFUVNJQF-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)sc(n2)Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.653g/mol
Monoisotopic Mass:
182.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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