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89420-70-2 | Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-1-(2-thienylmethyl)-
CAS No: 89420-70-2 Catalog No: AG0088QX MDL No:
Product Description
Catalog Number:
AG0088QX
Chemical Name:
Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-1-(2-thienylmethyl)-
CAS Number:
89420-70-2
Molecular Formula:
C14H19NS
Molecular Weight:
233.3724
IUPAC Name:
1-(thiophen-2-ylmethyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
InChI:
InChI=1S/C14H19NS/c1-2-6-13-11(4-1)7-8-15-14(13)10-12-5-3-9-16-12/h3,5,9,14-15H,1-2,4,6-8,10H2
InChI Key:
UNKZVXAMKMKVBL-UHFFFAOYSA-N
SMILES:
C1CCC2=C(C1)C(NCC2)Cc1cccs1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.124g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.373g/mol
Monoisotopic Mass:
233.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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