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112472-35-2 | Thieno[3,4-d]isothiazol-3(2H)-one, 2-methyl-, 1,1-dioxide
CAS No: 112472-35-2 Catalog No: AG007AT4 MDL No:
Product Description
Catalog Number:
AG007AT4
Chemical Name:
Thieno[3,4-d]isothiazol-3(2H)-one, 2-methyl-, 1,1-dioxide
CAS Number:
112472-35-2
Molecular Formula:
C6H5NO3S2
Molecular Weight:
203.2388
IUPAC Name:
2-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one
InChI:
InChI=1S/C6H5NO3S2/c1-7-6(8)4-2-11-3-5(4)12(7,9)10/h2-3H,1H3
InChI Key:
VODUBTVSLUHSRV-UHFFFAOYSA-N
SMILES:
O=C1c2cscc2S(=O)(=O)N1C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.971g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.23g/mol
Monoisotopic Mass:
202.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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