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70415-50-8 | 6-Chloro-4-hydroxy-2-methyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxylic acid methyl ester 1,1-dioxide
CAS No: 70415-50-8 Catalog No: AG005IYK MDL No:MFCD08063942
Product Description
Catalog Number:
AG005IYK
Chemical Name:
6-Chloro-4-hydroxy-2-methyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxylic acid methyl ester 1,1-dioxide
CAS Number:
70415-50-8
Molecular Formula:
C9H8ClNO5S2
Molecular Weight:
309.7465
MDL Number:
MFCD08063942
IUPAC Name:
methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate
InChI:
InChI=1S/C9H8ClNO5S2/c1-11-6(9(13)16-2)7(12)8-4(18(11,14)15)3-5(10)17-8/h3,12H,1-2H3
InChI Key:
HITUAYIBHWKKFU-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(O)c2sc(cc2S(=O)(=O)N1C)Cl
EC Number:
615-114-1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.953g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.735g/mol
Monoisotopic Mass:
308.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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