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855630-88-5 | 2-Isoindolinecarboxamide, thio- (5CI)
CAS No: 855630-88-5 Catalog No: AG00GFBE MDL No:
Product Description
Catalog Number:
AG00GFBE
Chemical Name:
2-Isoindolinecarboxamide, thio- (5CI)
CAS Number:
855630-88-5
IUPAC Name:
1,3-dihydroisoindole-2-carbothioamide
InChI:
InChI=1S/C9H10N2S/c10-9(12)11-5-7-3-1-2-4-8(7)6-11/h1-4H,5-6H2,(H2,10,12)
InChI Key:
WGWDZUNNAMRVOY-UHFFFAOYSA-N
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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