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23808-64-2 | Benzothiazole, 2,6-dimethyl-, 3-oxide (8CI,9CI)
CAS No: 23808-64-2 Catalog No: AG00C515 MDL No:
Product Description
Catalog Number:
AG00C515
Chemical Name:
Benzothiazole, 2,6-dimethyl-, 3-oxide (8CI,9CI)
CAS Number:
23808-64-2
IUPAC Name:
2,6-dimethyl-3-oxido-1,3-benzothiazol-3-ium
InChI:
InChI=1S/C9H9NOS/c1-6-3-4-8-9(5-6)12-7(2)10(8)11/h3-5H,1-2H3
InChI Key:
MYCCAGYUACJSGX-UHFFFAOYSA-N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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