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Home > Indoles and Oxindole > 16131-74-1
16131-74-1 | 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-2-(4-methyl-2-thiazolyl)-
CAS No: 16131-74-1 Catalog No: AG001SCK MDL No:
Product Description
Catalog Number:
AG001SCK
Chemical Name:
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-2-(4-methyl-2-thiazolyl)-
CAS Number:
16131-74-1
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
IUPAC Name:
2-(4-methyl-1,3-thiazol-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
InChI:
InChI=1S/C12H12N2O3S/c1-5-4-18-12(13-5)14-10(15)8-6-2-3-7(17-6)9(8)11(14)16/h4,6-9H,2-3H2,1H3
InChI Key:
BQQXAFGKHBDWMY-UHFFFAOYSA-N
SMILES:
O=C1C2C3CCC(C2C(=O)N1c1scc(n1)C)O3
NSC Number:
101200
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.299g/mol
Monoisotopic Mass:
264.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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