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Home Carboxys ethyl 2-amino-4H,5H,6H-thieno[2,3-b]thiopyran-3-carboxylate

ethyl 2-amino-4H,5H,6H-thieno[2,3-b]thiopyran-3-carboxylate

CAS No.:
733794-92-8
Catalog Number:
AG00ICE9
Molecular Formula:
C10H13NO2S2
Molecular Weight:
243.3457
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Product Description
Catalog Number:
AG00ICE9
Chemical Name:
ethyl 2-amino-4H,5H,6H-thieno[2,3-b]thiopyran-3-carboxylate
CAS Number:
733794-92-8
Molecular Formula:
C10H13NO2S2
Molecular Weight:
243.3457
MDL Number:
MFCD04610261
IUPAC Name:
ethyl 2-amino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate
InChI:
InChI=1S/C10H13NO2S2/c1-2-13-9(12)7-6-4-3-5-14-10(6)15-8(7)11/h2-5,11H2,1H3
InChI Key:
LABKGAIXIOECKO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)sc2c1CCCS2
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.039g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.339g/mol
Monoisotopic Mass:
243.039g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties