Home Pyridines 116538-95-5
116538-95-5,MFCD11053768
Catalog No.:AA000CNA
116538-95-5 | Thieno[3,2-b]pyridine-6-carbonitrile
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Technical Information
Catalog Number:
AA000CNA
Chemical Name:
Thieno[3,2-b]pyridine-6-carbonitrile
CAS Number:
116538-95-5
Molecular Formula:
C8H4N2S
Molecular Weight:
160.1958
MDL Number:
MFCD11053768
IUPAC Name:
thieno[3,2-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C8H4N2S/c9-4-6-3-8-7(10-5-6)1-2-11-8/h1-3,5H
InChI Key:
QYCIXUKZMDUDBK-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)scc2
Properties
Computed Properties
 
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.01g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.194g/mol
Monoisotopic Mass:
160.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
Thieno[3,2-b]pyridine-6-carbonitrile 
116538-95-5 
MCULE-1700309369 
PB20555 
AS-50765 
CS-0055203 
Q-2679 
Thieno[3,2-b]pyridine-6-carbonitrile (9CI) 
ACMC-20mmlo 
SCHEMBL842815 
CTK0H3047 
DTXSID70552925 
MFCD11053768 
ZINC34194059 
AKOS006307636 
Literature
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