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3921-06-0 | 5-Benzothiazoleethanol,2-methyl-(7CI,8CI,9CI)
CAS No: 3921-06-0 Catalog No: AG00CPBI MDL No:
Product Description
Catalog Number:
AG00CPBI
Chemical Name:
5-Benzothiazoleethanol,2-methyl-(7CI,8CI,9CI)
CAS Number:
3921-06-0
IUPAC Name:
2-(2-methyl-1,3-benzothiazol-5-yl)ethanol
InChI:
InChI=1S/C10H11NOS/c1-7-11-9-6-8(4-5-12)2-3-10(9)13-7/h2-3,6,12H,4-5H2,1H3
InChI Key:
LMONEXCPVOBHAU-UHFFFAOYSA-N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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