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84705-07-7 | 1,2-Benzisothiazole-3(2H)-thione,2-methyl-, 1,1-dioxide
CAS No: 84705-07-7 Catalog No: AG008GVU MDL No:
Product Description
Catalog Number:
AG008GVU
Chemical Name:
1,2-Benzisothiazole-3(2H)-thione,2-methyl-, 1,1-dioxide
CAS Number:
84705-07-7
Molecular Formula:
C8H7NO2S2
Molecular Weight:
213.2767
IUPAC Name:
2-methyl-1,1-dioxo-1,2-benzothiazole-3-thione
InChI:
InChI=1S/C8H7NO2S2/c1-9-8(12)6-4-2-3-5-7(6)13(9,10)11/h2-5H,1H3
InChI Key:
RRLRWJKWMRETNS-UHFFFAOYSA-N
SMILES:
S=C1c2ccccc2S(=O)(=O)N1C
NSC Number:
128688
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.992g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.269g/mol
Monoisotopic Mass:
212.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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