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72975-44-1 | 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2]thiazin-4-one 1,1-dioxide
CAS No: 72975-44-1 Catalog No: AG00J936 MDL No:MFCD10037599
Product Description
Catalog Number:
AG00J936
Chemical Name:
2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2]thiazin-4-one 1,1-dioxide
CAS Number:
72975-44-1
Molecular Formula:
C7H7NO3S2
Molecular Weight:
217.2654
MDL Number:
MFCD10037599
IUPAC Name:
2-methyl-1,1-dioxo-3H-thieno[2,3-e]thiazin-4-one
InChI:
InChI=1S/C7H7NO3S2/c1-8-4-5(9)7-6(2-3-12-7)13(8,10)11/h2-3H,4H2,1H3
InChI Key:
UIDYUFNUOPFKKK-UHFFFAOYSA-N
SMILES:
O=C1CN(C)S(=O)(=O)c2c1scc2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.987g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.257g/mol
Monoisotopic Mass:
216.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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