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106291-41-2 | Isoquinoline, 1,2,3,4-tetrahydro-7-(methylthio)-4-phenyl-
CAS No: 106291-41-2 Catalog No: AG007V2T MDL No:
Product Description
Catalog Number:
AG007V2T
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-7-(methylthio)-4-phenyl-
CAS Number:
106291-41-2
Molecular Formula:
C16H17NS
Molecular Weight:
255.3779
IUPAC Name:
7-methylsulfanyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C16H17NS/c1-18-14-7-8-15-13(9-14)10-17-11-16(15)12-5-3-2-4-6-12/h2-9,16-17H,10-11H2,1H3
InChI Key:
HQPARWDESRQCNT-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)CNCC2c1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.379g/mol
Monoisotopic Mass:
255.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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