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Home > Indoles and Oxindole > 524704-33-4
524704-33-4 | 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 524704-33-4 Catalog No: AG00VSPP MDL No:MFCD03617016
Product Description
Catalog Number:
AG00VSPP
Chemical Name:
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
524704-33-4
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
MDL Number:
MFCD03617016
IUPAC Name:
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H12N2O2S/c1-9-15-10(8-19-9)6-7-16-13(17)11-4-2-3-5-12(11)14(16)18/h2-5,8H,6-7H2,1H3
InChI Key:
WUDSUDRWMVSFJT-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2csc(n2)C)C(=O)c2c1cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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