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17147-80-7 | 1-(Benzo[d]thiazol-2-yl)ethanol
CAS No: 17147-80-7 Catalog No: AG0077PE MDL No:MFCD00192993
Product Description
Catalog Number:
AG0077PE
Chemical Name:
1-(Benzo[d]thiazol-2-yl)ethanol
CAS Number:
17147-80-7
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD00192993
IUPAC Name:
1-(1,3-benzothiazol-2-yl)ethanol
InChI:
InChI=1S/C9H9NOS/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-6,11H,1H3
InChI Key:
AVXZTUFERFFNCR-UHFFFAOYSA-N
SMILES:
CC(c1nc2c(s1)cccc2)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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