Home Quinolines 1204296-52-5
1204296-52-5,MFCD16631865
Catalog No.:AA01AQJF
1204296-52-5 | 5-Methoxyisoquinoline-1-thiol
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Technical Information
Catalog Number:
AA01AQJF
Chemical Name:
5-Methoxyisoquinoline-1-thiol
CAS Number:
1204296-52-5
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
MDL Number:
MFCD16631865
IUPAC Name:
5-methoxy-2H-isoquinoline-1-thione
InChI:
InChI=1S/C10H9NOS/c1-12-9-4-2-3-8-7(9)5-6-11-10(8)13/h2-6H,1H3,(H,11,13)
InChI Key:
KWTNGSPQRHWOJG-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ccnc2S
Properties
Computed Properties
 
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
5-methoxyisoquinoline-1-thiol 
1204296-52-5 
ZINC36657715 
AKOS006334215 
MCULE-8994742334 
L-4860 
F2161-0059 
5-methoxy-2H-isoquinoline-1-thione 
N/A 
Literature
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