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Home > Indoles and Oxindole > 16131-67-2
16131-67-2 | 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-thiazolyl)-
CAS No: 16131-67-2 Catalog No: AG001SCN MDL No:
Product Description
Catalog Number:
AG001SCN
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-thiazolyl)-
CAS Number:
16131-67-2
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
IUPAC Name:
2-(1,3-thiazol-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C11H10N2O2S/c14-9-7-3-1-2-4-8(7)10(15)13(9)11-12-5-6-16-11/h1-2,5-8H,3-4H2
InChI Key:
LCKNJCZOPSAXKE-UHFFFAOYSA-N
SMILES:
O=C1N(c2nccs2)C(=O)C2C1CC=CC2
NSC Number:
72072
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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