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56185-51-4 | Benzothiazole, 2-[(4,5-dihydro-1H-imidazol-2-yl)methylene]-2,3-dihydro-3-methyl- (9CI)
CAS No: 56185-51-4 Catalog No: AG00DO1Z MDL No:
Product Description
Catalog Number:
AG00DO1Z
Chemical Name:
Benzothiazole, 2-[(4,5-dihydro-1H-imidazol-2-yl)methylene]-2,3-dihydro-3-methyl- (9CI)
CAS Number:
56185-51-4
IUPAC Name:
(2E)-2-(4,5-dihydro-1H-imidazol-2-ylmethylidene)-3-methyl-1,3-benzothiazole
InChI:
InChI=1S/C12H13N3S/c1-15-9-4-2-3-5-10(9)16-12(15)8-11-13-6-7-14-11/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8+
InChI Key:
ZSZSFIYDAPBMLH-XYOKQWHBSA-N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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