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1016738-31-0 | 2-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHANETHIOAMIDE
CAS No: 1016738-31-0 Catalog No: AG01ARF7 MDL No:MFCD09928703
Product Description
Catalog Number:
AG01ARF7
Chemical Name:
2-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHANETHIOAMIDE
CAS Number:
1016738-31-0
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
MDL Number:
MFCD09928703
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanethioamide
InChI:
InChI=1S/C11H14N2S/c12-11(14)8-13-6-5-9-3-1-2-4-10(9)7-13/h1-4H,5-8H2,(H2,12,14)
InChI Key:
QILQQNUKEXBSKU-UHFFFAOYSA-N
SMILES:
NC(=S)CN1CCc2c(C1)cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.307g/mol
Monoisotopic Mass:
206.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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