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115906-56-4 | 2H-Imidazo[5,1-b][1,3]thiazin-3-ol, 3,4-dihydro-6-methyl-8-nitro-
CAS No: 115906-56-4 Catalog No: AG000H3V MDL No:
Product Description
Catalog Number:
AG000H3V
Chemical Name:
2H-Imidazo[5,1-b][1,3]thiazin-3-ol, 3,4-dihydro-6-methyl-8-nitro-
CAS Number:
115906-56-4
Molecular Formula:
C7H9N3O3S
Molecular Weight:
215.2297
IUPAC Name:
6-methyl-8-nitro-3,4-dihydro-2H-imidazo[5,1-b][1,3]thiazin-3-ol
InChI:
InChI=1S/C7H9N3O3S/c1-4-8-6(10(12)13)7-9(4)2-5(11)3-14-7/h5,11H,2-3H2,1H3
InChI Key:
DFJODVNWQIWHEB-UHFFFAOYSA-N
SMILES:
OC1CSc2n(C1)c(C)nc2[N+](=O)[O-]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.227g/mol
Monoisotopic Mass:
215.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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