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23808-61-9 | Benzothiazole, 2-methyl-, 3-oxide (8CI,9CI)
CAS No: 23808-61-9 Catalog No: AG00BLU0 MDL No:
Product Description
Catalog Number:
AG00BLU0
Chemical Name:
Benzothiazole, 2-methyl-, 3-oxide (8CI,9CI)
CAS Number:
23808-61-9
IUPAC Name:
2-methyl-3-oxido-1,3-benzothiazol-3-ium
InChI:
InChI=1S/C8H7NOS/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-5H,1H3
InChI Key:
INPKNILVJBVTCN-UHFFFAOYSA-N
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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