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Home > Indoles and Oxindole > 838892-96-9
838892-96-9 | 1H-Isoindole-1,3(2H)-dione, 2-[(2-methyl-5-thiazolyl)methyl]-
CAS No: 838892-96-9 Catalog No: AG00544C MDL No:MFCD16659653
Product Description
Catalog Number:
AG00544C
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(2-methyl-5-thiazolyl)methyl]-
CAS Number:
838892-96-9
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
MDL Number:
MFCD16659653
IUPAC Name:
2-[(2-methyl-1,3-thiazol-5-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C13H10N2O2S/c1-8-14-6-9(18-8)7-15-12(16)10-4-2-3-5-11(10)13(15)17/h2-6H,7H2,1H3
InChI Key:
LZWVRDPHWBLUMC-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2cnc(s2)C)C(=O)c2c1cccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.295g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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