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101555-44-6 | Benzothiazole, sulfate (1:1)
CAS No: 101555-44-6 Catalog No: AG0004RP MDL No:
Product Description
Catalog Number:
AG0004RP
Chemical Name:
Benzothiazole, sulfate (1:1)
CAS Number:
101555-44-6
Molecular Formula:
C7H7NO4S2
Molecular Weight:
233.2648
IUPAC Name:
1,3-benzothiazole;sulfuric acid
InChI:
InChI=1S/C7H5NS.H2O4S/c1-2-4-7-6(3-1)8-5-9-7;1-5(2,3)4/h1-5H;(H2,1,2,3,4)
InChI Key:
DTOUTQSJZYYJEO-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)scn2.OS(=O)(=O)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.982g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.256g/mol
Monoisotopic Mass:
232.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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