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18101-58-1 | 6-Benzothiazolesulfonamide, 2-amino-
CAS No: 18101-58-1 Catalog No: AG0022MN MDL No:MFCD00600628
Product Description
Catalog Number:
AG0022MN
Chemical Name:
6-Benzothiazolesulfonamide, 2-amino-
CAS Number:
18101-58-1
Molecular Formula:
C7H7N3O2S2
Molecular Weight:
229.2794
MDL Number:
MFCD00600628
IUPAC Name:
2-amino-1,3-benzothiazole-6-sulfonamide
InChI:
InChI=1S/C7H7N3O2S2/c8-7-10-5-2-1-4(14(9,11)12)3-6(5)13-7/h1-3H,(H2,8,10)(H2,9,11,12)
InChI Key:
CGJUKQLMOOVGOC-UHFFFAOYSA-N
SMILES:
Nc1nc2c(s1)cc(cc2)S(=O)(=O)N
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.272g/mol
Monoisotopic Mass:
228.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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