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46055-91-8 | 2-Benzothiazoleethanol(6CI,7CI,9CI)
CAS No: 46055-91-8 Catalog No: AG00DO39 MDL No:MFCD02729671
Product Description
Catalog Number:
AG00DO39
Chemical Name:
2-Benzothiazoleethanol(6CI,7CI,9CI)
CAS Number:
46055-91-8
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD02729671
IUPAC Name:
2-(1,3-benzothiazol-2-yl)ethanol
InChI:
InChI=1S/C9H9NOS/c11-6-5-9-10-7-3-1-2-4-8(7)12-9/h1-4,11H,5-6H2
InChI Key:
LRMUYWUZEQHQLA-UHFFFAOYSA-N
SMILES:
OCCc1nc2c(s1)cccc2
Properties
Complexity:
154
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:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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