Home Nitriles 3-aminobenzo[b]thiophene-2-carbonitrile

3-aminobenzo[b]thiophene-2-carbonitrile

CAS No.:
34761-14-3
Catalog Number:
AG00CKH7
Molecular Formula:
C9H6N2S
Molecular Weight:
174.2223
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Product Description
Catalog Number:
AG00CKH7
Chemical Name:
3-aminobenzo[b]thiophene-2-carbonitrile
CAS Number:
34761-14-3
Molecular Formula:
C9H6N2S
Molecular Weight:
174.2223
MDL Number:
MFCD01830421
IUPAC Name:
3-amino-1-benzothiophene-2-carbonitrile
InChI:
InChI=1S/C9H6N2S/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-4H,11H2
InChI Key:
UJPNEVVIUIZNTR-UHFFFAOYSA-N
SMILES:
N#Cc1sc2c(c1N)cccc2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties