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89556-86-5 | 2,6-Piperidinedione, 1-[3-(1,3-dithian-2-ylidene)propyl]-
CAS No: 89556-86-5 Catalog No: AG003YCK MDL No:
Product Description
Catalog Number:
AG003YCK
Chemical Name:
2,6-Piperidinedione, 1-[3-(1,3-dithian-2-ylidene)propyl]-
CAS Number:
89556-86-5
Molecular Formula:
C12H17NO2S2
Molecular Weight:
271.3989
IUPAC Name:
1-[3-(1,3-dithian-2-ylidene)propyl]piperidine-2,6-dione
InChI:
InChI=1S/C12H17NO2S2/c14-10-4-1-5-11(15)13(10)7-2-6-12-16-8-3-9-17-12/h6H,1-5,7-9H2
InChI Key:
VCPXGQPMRONKJF-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)N1CCC=C1SCCCS1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.393g/mol
Monoisotopic Mass:
271.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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