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835919-14-7 | Isoquinoline, 3,4-dihydro-3,3,5,6,7-pentamethyl-1-(methylthio)-
CAS No: 835919-14-7 Catalog No: AG008IX5 MDL No:
Product Description
Catalog Number:
AG008IX5
Chemical Name:
Isoquinoline, 3,4-dihydro-3,3,5,6,7-pentamethyl-1-(methylthio)-
CAS Number:
835919-14-7
Molecular Formula:
C15H21NS
Molecular Weight:
247.3989
IUPAC Name:
3,3,5,6,7-pentamethyl-1-methylsulfanyl-4H-isoquinoline
InChI:
InChI=1S/C15H21NS/c1-9-7-12-13(11(3)10(9)2)8-15(4,5)16-14(12)17-6/h7H,8H2,1-6H3
InChI Key:
DQPGPPAKUNSXES-UHFFFAOYSA-N
SMILES:
CSC1=NC(C)(C)Cc2c1cc(C)c(c2C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.139g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.4g/mol
Monoisotopic Mass:
247.139g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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