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53338-83-3 | 3-methyl-2-benzothiazolinone acetone azine
CAS No: 53338-83-3 Catalog No: AG00E3I2 MDL No:
Product Description
Catalog Number:
AG00E3I2
Chemical Name:
3-methyl-2-benzothiazolinone acetone azine
CAS Number:
53338-83-3
IUPAC Name:
(E)-3-methyl-N-(propan-2-ylideneamino)-1,3-benzothiazol-2-imine
InChI:
InChI=1S/C11H13N3S/c1-8(2)12-13-11-14(3)9-6-4-5-7-10(9)15-11/h4-7H,1-3H3/b13-11+
InChI Key:
RPVXHIUJWZMKNB-ACCUITESSA-N
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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