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1820650-54-1 | 1-(3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl)-3-(methylthio)propan-1-amine oxalate
CAS No: 1820650-54-1 Catalog No: AG01FMLM MDL No:MFCD28370006
Product Description
Catalog Number:
AG01FMLM
Chemical Name:
1-(3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl)-3-(methylthio)propan-1-amine oxalate
CAS Number:
1820650-54-1
Molecular Formula:
C12H15N3O6S
Molecular Weight:
329.3290
MDL Number:
MFCD28370006
IUPAC Name:
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine;oxalic acid
InChI:
InChI=1S/C10H13N3O2S.C2H2O4/c1-16-6-4-7(11)10-12-9(13-15-10)8-3-2-5-14-8;3-1(4)2(5)6/h2-3,5,7H,4,6,11H2,1H3;(H,3,4)(H,5,6)
InChI Key:
FJECBZDNBLCTLY-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CSCCC(c1onc(n1)c1ccco1)N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
329.327g/mol
Monoisotopic Mass:
329.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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