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86695-27-4 | 2-Benzothiazolesulfonamide, 5-methoxy-
CAS No: 86695-27-4 Catalog No: AG008F9B MDL No:
Product Description
Catalog Number:
AG008F9B
Chemical Name:
2-Benzothiazolesulfonamide, 5-methoxy-
CAS Number:
86695-27-4
Molecular Formula:
C8H8N2O3S2
Molecular Weight:
244.2907
IUPAC Name:
5-methoxy-1,3-benzothiazole-2-sulfonamide
InChI:
InChI=1S/C8H8N2O3S2/c1-13-5-2-3-7-6(4-5)10-8(14-7)15(9,11)12/h2-4H,1H3,(H2,9,11,12)
InChI Key:
PJEUMAIFFMKVAT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(s2)S(=O)(=O)N
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.998g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.283g/mol
Monoisotopic Mass:
243.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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