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92432-91-2 | N-(4-oxo-4H-1,3-benzothiazin-2-yl)guanidine
CAS No: 92432-91-2 Catalog No: AG018WRS MDL No:
Product Description
Catalog Number:
AG018WRS
Chemical Name:
N-(4-oxo-4H-1,3-benzothiazin-2-yl)guanidine
CAS Number:
92432-91-2
Molecular Formula:
C9H8N4OS
Molecular Weight:
220.2510
IUPAC Name:
2-(4-oxo-1,3-benzothiazin-2-yl)guanidine
InChI:
InChI=1S/C9H8N4OS/c10-8(11)13-9-12-7(14)5-3-1-2-4-6(5)15-9/h1-4H,(H4,10,11,12,13,14)
InChI Key:
YXHIFFNKAYEVEC-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1nc(=O)c2c(s1)cccc2
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.25g/mol
Monoisotopic Mass:
220.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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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