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948007-59-8 | 2,3-DIHYDRO-4H-THIENO[2,3-E][1,2]THIAZIN-4-ONE1,1-DIOXIDE
CAS No: 948007-59-8 Catalog No: AG006S1L MDL No:MFCD10037598
Product Description
Catalog Number:
AG006S1L
Chemical Name:
2,3-DIHYDRO-4H-THIENO[2,3-E][1,2]THIAZIN-4-ONE1,1-DIOXIDE
CAS Number:
948007-59-8
Molecular Formula:
C6H5NO3S2
Molecular Weight:
203.2388
MDL Number:
MFCD10037598
IUPAC Name:
1,1-dioxo-2,3-dihydrothieno[2,3-e]thiazin-4-one
InChI:
InChI=1S/C6H5NO3S2/c8-4-3-7-12(9,10)5-1-2-11-6(4)5/h1-2,7H,3H2
InChI Key:
BGSGHXGPHHVUFR-UHFFFAOYSA-N
SMILES:
O=C1CNS(=O)(=O)c2c1scc2
Properties
Complexity:
305
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.23g/mol
Monoisotopic Mass:
202.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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