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Home > Pyridines > 1932021-59-4
1932021-59-4 | rac-(3aR,7aR)-octahydro-1lambda6-[1,2]thiazolo[4,5-b]pyridine-1,1,3-trione
CAS No: 1932021-59-4 Catalog No: AG01C3IM MDL No:MFCD30011415
Product Description
Catalog Number:
AG01C3IM
Chemical Name:
rac-(3aR,7aR)-octahydro-1lambda6-[1,2]thiazolo[4,5-b]pyridine-1,1,3-trione
CAS Number:
1932021-59-4
Molecular Formula:
C6H10N2O3S
Molecular Weight:
190.2202
MDL Number:
MFCD30011415
IUPAC Name:
(3aR,7aR)-1,1-dioxo-3a,4,5,6,7,7a-hexahydro-[1,2]thiazolo[4,5-b]pyridin-3-one
InChI:
InChI=1S/C6H10N2O3S/c9-6-5-4(2-1-3-7-5)12(10,11)8-6/h4-5,7H,1-3H2,(H,8,9)/t4-,5+/m1/s1
InChI Key:
KACIOJPSSPRLQD-UHNVWZDZSA-N
SMILES:
O=C1NS(=O)(=O)[C@H]2[C@@H]1NCCC2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
190.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.217g/mol
Monoisotopic Mass:
190.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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