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89556-89-8 | 3(2H)-Indolizinone, 8-(1,3-dithian-2-ylidene)hexahydro-
CAS No: 89556-89-8 Catalog No: AG003ZMW MDL No:
Product Description
Catalog Number:
AG003ZMW
Chemical Name:
3(2H)-Indolizinone, 8-(1,3-dithian-2-ylidene)hexahydro-
CAS Number:
89556-89-8
Molecular Formula:
C12H17NOS2
Molecular Weight:
255.3995
IUPAC Name:
8-(1,3-dithian-2-ylidene)-1,2,5,6,7,8a-hexahydroindolizin-3-one
InChI:
InChI=1S/C12H17NOS2/c14-11-5-4-10-9(3-1-6-13(10)11)12-15-7-2-8-16-12/h10H,1-8H2
InChI Key:
FSBDZBCKFPMGLL-UHFFFAOYSA-N
SMILES:
O=C1CCC2N1CCCC2=C1SCCCS1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.394g/mol
Monoisotopic Mass:
255.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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