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21431-21-0 | 2-methyl-1,3-benzothiazole-6-sulfonamide
CAS No: 21431-21-0 Catalog No: AG01DW8H MDL No:MFCD23381086
Product Description
Catalog Number:
AG01DW8H
Chemical Name:
2-methyl-1,3-benzothiazole-6-sulfonamide
CAS Number:
21431-21-0
Molecular Formula:
C8H8N2O2S2
Molecular Weight:
228.2913
MDL Number:
MFCD23381086
IUPAC Name:
2-methyl-1,3-benzothiazole-6-sulfonamide
InChI:
InChI=1S/C8H8N2O2S2/c1-5-10-7-3-2-6(14(9,11)12)4-8(7)13-5/h2-4H,1H3,(H2,9,11,12)
InChI Key:
RJJWMABSSXTUCA-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)cc(cc2)S(=O)(=O)N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.003g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.284g/mol
Monoisotopic Mass:
228.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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