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Home > Thiazole > 1422058-92-1
1422058-92-1 | ((3aR,6aS)-hexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl)(thiazol-4-yl)methanone
CAS No: 1422058-92-1 Catalog No: AG01DK9M MDL No:
Product Description
Catalog Number:
AG01DK9M
Chemical Name:
((3aR,6aS)-hexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl)(thiazol-4-yl)methanone
CAS Number:
1422058-92-1
Molecular Formula:
C10H13N3OS
Molecular Weight:
223.2947
IUPAC Name:
[(3aS,6aR)-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl]-(1,3-thiazol-4-yl)methanone
InChI:
InChI=1S/C10H13N3OS/c14-10(8-5-15-6-12-8)13-4-2-7-9(13)1-3-11-7/h5-7,9,11H,1-4H2/t7-,9+/m1/s1
InChI Key:
ISBHXEZKFUSMHI-APPZFPTMSA-N
SMILES:
O=C(N1CC[C@@H]2[C@@H]1CCN2)c1cscn1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
223.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.294g/mol
Monoisotopic Mass:
223.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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