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27655-26-1 | Benzothiazole, 3-oxide
CAS No: 27655-26-1 Catalog No: AG002UCE MDL No:MFCD18826551
Product Description
Catalog Number:
AG002UCE
Chemical Name:
Benzothiazole, 3-oxide
CAS Number:
27655-26-1
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
MDL Number:
MFCD18826551
IUPAC Name:
3-oxido-1,3-benzothiazol-3-ium
InChI:
InChI=1S/C7H5NOS/c9-8-5-10-7-4-2-1-3-6(7)8/h1-5H
InChI Key:
LMIAGQODFKONRT-UHFFFAOYSA-N
SMILES:
[O-][n+]1csc2c1cccc2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.183g/mol
Monoisotopic Mass:
151.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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