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89413-11-6 | Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-(2-thienylmethyl)-
CAS No: 89413-11-6 Catalog No: AG00463C MDL No:
Product Description
Catalog Number:
AG00463C
Chemical Name:
Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-(2-thienylmethyl)-
CAS Number:
89413-11-6
Molecular Formula:
C15H21NS
Molecular Weight:
247.3989
IUPAC Name:
2-methyl-1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
InChI:
InChI=1S/C15H21NS/c1-16-9-8-12-5-2-3-7-14(12)15(16)11-13-6-4-10-17-13/h4,6,10,15H,2-3,5,7-9,11H2,1H3
InChI Key:
GIBMASPMCCNOSC-UHFFFAOYSA-N
SMILES:
CN1CCC2=C(C1Cc1cccs1)CCCC2
Properties
Complexity:
310
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:
2
Topological Polar Surface Area:
31.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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