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89652-23-3 | 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-
CAS No: 89652-23-3 Catalog No: AG0043ZN MDL No:
Product Description
Catalog Number:
AG0043ZN
Chemical Name:
2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-
CAS Number:
89652-23-3
Molecular Formula:
C16H16N2S
Molecular Weight:
268.3766
IUPAC Name:
N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
InChI:
InChI=1S/C16H16N2S/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h1-9H,10-12H2,(H,17,19)
InChI Key:
FAPOHPPTCHNTGU-UHFFFAOYSA-N
SMILES:
S=C(N1CCc2c(C1)cccc2)Nc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.378g/mol
Monoisotopic Mass:
268.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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