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Home > Indoles and Oxindole > 89313-77-9
89313-77-9 | 1H-Isoindole-1-thione, 2,3-dihydro-2-(4-methoxyphenyl)-
CAS No: 89313-77-9 Catalog No: AG003YJ4 MDL No:
Product Description
Catalog Number:
AG003YJ4
Chemical Name:
1H-Isoindole-1-thione, 2,3-dihydro-2-(4-methoxyphenyl)-
CAS Number:
89313-77-9
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
IUPAC Name:
2-(4-methoxyphenyl)-3H-isoindole-1-thione
InChI:
InChI=1S/C15H13NOS/c1-17-13-8-6-12(7-9-13)16-10-11-4-2-3-5-14(11)15(16)18/h2-9H,10H2,1H3
InChI Key:
CTDCQFXNFYWDFW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1Cc2c(C1=S)cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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