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1016861-33-8 | 2-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHANETHIOAMIDE
CAS No: 1016861-33-8 Catalog No: AG01ARGT MDL No:MFCD09948908
Product Description
Catalog Number:
AG01ARGT
Chemical Name:
2-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHANETHIOAMIDE
CAS Number:
1016861-33-8
Molecular Formula:
C13H18N2O2S
Molecular Weight:
266.3592
MDL Number:
MFCD09948908
IUPAC Name:
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanethioamide
InChI:
InChI=1S/C13H18N2O2S/c1-16-11-5-9-3-4-15(8-13(14)18)7-10(9)6-12(11)17-2/h5-6H,3-4,7-8H2,1-2H3,(H2,14,18)
InChI Key:
TWFKHXSITFFKKD-UHFFFAOYSA-N
SMILES:
COc1cc2CN(CCc2cc1OC)CC(=S)N
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.359g/mol
Monoisotopic Mass:
266.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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