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90265-87-5 | Isoquinoline, 1,2,3,4-tetrahydro-5-(methylthio)-4-phenyl-, hydrochloride
CAS No: 90265-87-5 Catalog No: AG00H624 MDL No:
Product Description
Catalog Number:
AG00H624
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-5-(methylthio)-4-phenyl-, hydrochloride
CAS Number:
90265-87-5
Molecular Formula:
C16H18ClNS
Molecular Weight:
291.8388
IUPAC Name:
5-methylsulfanyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C16H17NS.ClH/c1-18-15-9-5-8-13-10-17-11-14(16(13)15)12-6-3-2-4-7-12;/h2-9,14,17H,10-11H2,1H3;1H
InChI Key:
SXYDXMVWJIVVBW-UHFFFAOYSA-N
SMILES:
CSc1cccc2c1C(CNC2)c1ccccc1.Cl
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.837g/mol
Monoisotopic Mass:
291.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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