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110719-12-5 | 1(2H)-Isoquinolinethione, 3,4-dihydro-2-(phenylmethyl)-
CAS No: 110719-12-5 Catalog No: AG0083HH MDL No:
Product Description
Catalog Number:
AG0083HH
Chemical Name:
1(2H)-Isoquinolinethione, 3,4-dihydro-2-(phenylmethyl)-
CAS Number:
110719-12-5
Molecular Formula:
C16H15NS
Molecular Weight:
253.3620
IUPAC Name:
2-benzyl-3,4-dihydroisoquinoline-1-thione
InChI:
InChI=1S/C16H15NS/c18-16-15-9-5-4-8-14(15)10-11-17(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChI Key:
USHPRUDPOWKEFH-UHFFFAOYSA-N
SMILES:
S=C1N(CCc2c1cccc2)Cc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.363g/mol
Monoisotopic Mass:
253.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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