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Home > Imidazoles > 113895-39-9
113895-39-9 | 7H-Imidazo[4,5-e]benzothiazol-7-one, 6,8-dihydro-2-methyl-
CAS No: 113895-39-9 Catalog No: AG000A01 MDL No:
Product Description
Catalog Number:
AG000A01
Chemical Name:
7H-Imidazo[4,5-e]benzothiazol-7-one, 6,8-dihydro-2-methyl-
CAS Number:
113895-39-9
Molecular Formula:
C9H7N3OS
Molecular Weight:
205.2364
IUPAC Name:
2-methyl-6,8-dihydroimidazo[4,5-e][1,3]benzothiazol-7-one
InChI:
InChI=1S/C9H7N3OS/c1-4-10-8-6(14-4)3-2-5-7(8)12-9(13)11-5/h2-3H,1H3,(H2,11,12,13)
InChI Key:
XWOPRXSUQXGBRY-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)c1[nH]c(=O)[nH]c1cc2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.235g/mol
Monoisotopic Mass:
205.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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