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531-82-8 | furothiazole
CAS No: 531-82-8 Catalog No: AG00DWDL MDL No:
Product Description
Catalog Number:
AG00DWDL
Chemical Name:
furothiazole
CAS Number:
531-82-8
IUPAC Name:
N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C9H7N3O4S/c1-5(13)10-9-11-6(4-17-9)7-2-3-8(16-7)12(14)15/h2-4H,1H3,(H,10,11,13)
InChI Key:
GYRMPDLIHUXUIG-UHFFFAOYSA-N
UNII:
Q42HOE346S
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.232g/mol
Monoisotopic Mass:
253.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Metabolic activation of the carcinogen N-[4-(5-nitro-2-furyl)-2-thiazolyl]acetamide by prostaglandin H synthase. | Carcinogenesis 19841001 |
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