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139601-01-7 | 6-Benzothiazolesulfonyl chloride, 2-(acetylamino)-
CAS No: 139601-01-7 Catalog No: AG001BCY MDL No:
Product Description
Catalog Number:
AG001BCY
Chemical Name:
6-Benzothiazolesulfonyl chloride, 2-(acetylamino)-
CAS Number:
139601-01-7
Molecular Formula:
C9H7ClN2O3S2
Molecular Weight:
290.7465
IUPAC Name:
2-acetamido-1,3-benzothiazole-6-sulfonyl chloride
InChI:
InChI=1S/C9H7ClN2O3S2/c1-5(13)11-9-12-7-3-2-6(17(10,14)15)4-8(7)16-9/h2-4H,1H3,(H,11,12,13)
InChI Key:
LVMRJRSCWBXBRK-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc2c(s1)cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.959g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.736g/mol
Monoisotopic Mass:
289.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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