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Home > Indoles and Oxindole > 141636-29-5
141636-29-5 | 1H-Isoindole-1-thione, 2,3-dihydro-3,3-dimethyl-2-phenyl-
CAS No: 141636-29-5 Catalog No: AG001GRD MDL No:
Product Description
Catalog Number:
AG001GRD
Chemical Name:
1H-Isoindole-1-thione, 2,3-dihydro-3,3-dimethyl-2-phenyl-
CAS Number:
141636-29-5
Molecular Formula:
C16H15NS
Molecular Weight:
253.3620
IUPAC Name:
3,3-dimethyl-2-phenylisoindole-1-thione
InChI:
InChI=1S/C16H15NS/c1-16(2)14-11-7-6-10-13(14)15(18)17(16)12-8-4-3-5-9-12/h3-11H,1-2H3
InChI Key:
PUPQCZUMRZDZDW-UHFFFAOYSA-N
SMILES:
S=C1c2ccccc2C(N1c1ccccc1)(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.363g/mol
Monoisotopic Mass:
253.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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