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54584-09-7 | Benzothiazole, 2-(1H-pyrrol-2-yl)- (9CI)
CAS No: 54584-09-7 Catalog No: AG00DNYV MDL No:
Product Description
Catalog Number:
AG00DNYV
Chemical Name:
Benzothiazole, 2-(1H-pyrrol-2-yl)- (9CI)
CAS Number:
54584-09-7
IUPAC Name:
2-(1H-pyrrol-2-yl)-1,3-benzothiazole
InChI:
InChI=1S/C11H8N2S/c1-2-6-10-8(4-1)13-11(14-10)9-5-3-7-12-9/h1-7,12H
InChI Key:
OCMOSCCTQWDOSF-UHFFFAOYSA-N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.259g/mol
Monoisotopic Mass:
200.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Pyrrolylbenzothiazole derivatives as aldose reductase inhibitors. | Journal of enzyme inhibition and medicinal chemistry 20020401 |
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