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184895-82-7 | Ethanone, 1-[5,6,7,8-tetrahydro-1-(methylthio)-3-isoquinolinyl]-
CAS No: 184895-82-7 Catalog No: AG0074S8 MDL No:
Product Description
Catalog Number:
AG0074S8
Chemical Name:
Ethanone, 1-[5,6,7,8-tetrahydro-1-(methylthio)-3-isoquinolinyl]-
CAS Number:
184895-82-7
Molecular Formula:
C12H15NOS
Molecular Weight:
221.3186
IUPAC Name:
1-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)ethanone
InChI:
InChI=1S/C12H15NOS/c1-8(14)11-7-9-5-3-4-6-10(9)12(13-11)15-2/h7H,3-6H2,1-2H3
InChI Key:
GVUDWUFDPRDPFA-UHFFFAOYSA-N
SMILES:
CSc1nc(cc2c1CCCC2)C(=O)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.318g/mol
Monoisotopic Mass:
221.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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