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89413-10-5 | Isoquinoline, 3,4,5,6,7,8-hexahydro-1-(2-thienylmethyl)-
CAS No: 89413-10-5 Catalog No: AG0088RF MDL No:
Product Description
Catalog Number:
AG0088RF
Chemical Name:
Isoquinoline, 3,4,5,6,7,8-hexahydro-1-(2-thienylmethyl)-
CAS Number:
89413-10-5
Molecular Formula:
C14H17NS
Molecular Weight:
231.3565
IUPAC Name:
1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydroisoquinoline
InChI:
InChI=1S/C14H17NS/c1-2-6-13-11(4-1)7-8-15-14(13)10-12-5-3-9-16-12/h3,5,9H,1-2,4,6-8,10H2
InChI Key:
ISYWOWFXFDMTCB-UHFFFAOYSA-N
SMILES:
C1CCC2=C(C1)C(=NCC2)Cc1cccs1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.357g/mol
Monoisotopic Mass:
231.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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