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Home > Indoles and Oxindole > 4733-48-6
4733-48-6 | 1H-Isoindole-1-thione, 2,3-dihydro-
CAS No: 4733-48-6 Catalog No: AG0071IT MDL No:
Product Description
Catalog Number:
AG0071IT
Chemical Name:
1H-Isoindole-1-thione, 2,3-dihydro-
CAS Number:
4733-48-6
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
IUPAC Name:
2,3-dihydroisoindole-1-thione
InChI:
InChI=1S/C8H7NS/c10-8-7-4-2-1-3-6(7)5-9-8/h1-4H,5H2,(H,9,10)
InChI Key:
SXRCQHFRJVTJCP-UHFFFAOYSA-N
SMILES:
S=C1NCc2c1cccc2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.211g/mol
Monoisotopic Mass:
149.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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