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1428732-23-3 | 3,3,6-trimethyl-1-(methylsulfanyl)-3,4-dihydroisoquinoline
CAS No: 1428732-23-3 Catalog No: AG01AMW9 MDL No:MFCD29034046
Product Description
Catalog Number:
AG01AMW9
Chemical Name:
3,3,6-trimethyl-1-(methylsulfanyl)-3,4-dihydroisoquinoline
CAS Number:
1428732-23-3
Molecular Formula:
C13H17NS
Molecular Weight:
219.3458
MDL Number:
MFCD29034046
IUPAC Name:
3,3,6-trimethyl-1-methylsulfanyl-4H-isoquinoline
InChI:
InChI=1S/C13H17NS/c1-9-5-6-11-10(7-9)8-13(2,3)14-12(11)15-4/h5-7H,8H2,1-4H3
InChI Key:
SBJJBDZZWXHZSG-UHFFFAOYSA-N
SMILES:
CSC1=NC(C)(C)Cc2c1ccc(c2)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.346g/mol
Monoisotopic Mass:
219.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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