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Home > Other Heterocycles > 74261-17-9
74261-17-9 | ethanethioamide; 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-15,17,19-triene
CAS No: 74261-17-9 Catalog No: AG005YOY MDL No:
Product Description
Catalog Number:
AG005YOY
Chemical Name:
ethanethioamide; 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-15,17,19-triene
CAS Number:
74261-17-9
Molecular Formula:
C16H25NO5S
Molecular Weight:
343.4384
IUPAC Name:
ethanethioamide;2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
InChI:
InChI=1S/C14H20O5.2C2H5NS/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14;2*1-2(3)4/h1-4H,5-12H2;2*1H3,(H2,3,4)
InChI Key:
KEJWONKJOGGBHO-UHFFFAOYSA-N
SMILES:
O1CCOCCOc2c(OCCOCC1)cccc2.CC(=S)N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.16g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.567g/mol
Monoisotopic Mass:
418.16g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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