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159555-57-4 | 7-Benzothiazolesulfonic acid
CAS No: 159555-57-4 Catalog No: AG001R5R MDL No:
Product Description
Catalog Number:
AG001R5R
Chemical Name:
7-Benzothiazolesulfonic acid
CAS Number:
159555-57-4
Molecular Formula:
C7H5NO3S2
Molecular Weight:
215.2495
IUPAC Name:
1,3-benzothiazole-7-sulfonic acid
InChI:
InChI=1S/C7H5NO3S2/c9-13(10,11)6-3-1-2-5-7(6)12-4-8-5/h1-4H,(H,9,10,11)
InChI Key:
AFAHJSMJLLHNPO-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cccc2c1scn2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.971g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.241g/mol
Monoisotopic Mass:
214.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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