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Home Aminos 3-[(furan-2-ylmethyl)amino]-4-hydroxy-1lambda6-thiolane-1,1-dione

3-[(furan-2-ylmethyl)amino]-4-hydroxy-1lambda6-thiolane-1,1-dione

CAS No.:
302806-16-2
Catalog Number:
AG019OG7
Molecular Formula:
C9H13NO4S
Molecular Weight:
231.2688
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Product Description
Catalog Number:
AG019OG7
Chemical Name:
3-[(furan-2-ylmethyl)amino]-4-hydroxy-1lambda6-thiolane-1,1-dione
CAS Number:
302806-16-2
Molecular Formula:
C9H13NO4S
Molecular Weight:
231.2688
MDL Number:
MFCD02081102
IUPAC Name:
4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-ol
InChI:
InChI=1S/C9H13NO4S/c11-9-6-15(12,13)5-8(9)10-4-7-2-1-3-14-7/h1-3,8-11H,4-6H2
InChI Key:
ORLZFELKWVMUAR-UHFFFAOYSA-N
SMILES:
OC1CS(=O)(=O)CC1NCc1ccco1
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.057g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.266g/mol
Monoisotopic Mass:
231.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
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