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13145-86-3 | Naphtho[1,2-b]thiophene-3-carbonitrile, 2-amino-4,5-dihydro-
CAS No: 13145-86-3 Catalog No: AG000W84 MDL No:MFCD01313988
Product Description
Catalog Number:
AG000W84
Chemical Name:
Naphtho[1,2-b]thiophene-3-carbonitrile, 2-amino-4,5-dihydro-
CAS Number:
13145-86-3
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
MDL Number:
MFCD01313988
IUPAC Name:
2-amino-4,5-dihydrobenzo[g][1]benzothiole-3-carbonitrile
InChI:
InChI=1S/C13H10N2S/c14-7-11-10-6-5-8-3-1-2-4-9(8)12(10)16-13(11)15/h1-4H,5-6,15H2
InChI Key:
JJKLELBOXAKAAD-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc2c1CCc1c2cccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.297g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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