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24456-59-5 | 6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-1-THIONE
CAS No: 24456-59-5 Catalog No: AG00C21X MDL No:
Product Description
Catalog Number:
AG00C21X
Chemical Name:
6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-1-THIONE
CAS Number:
24456-59-5
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
IUPAC Name:
6,7-dimethoxy-3,4-dihydro-2H-isoquinoline-1-thione
InChI:
InChI=1S/C11H13NO2S/c1-13-9-5-7-3-4-12-11(15)8(7)6-10(9)14-2/h5-6H,3-4H2,1-2H3,(H,12,15)
InChI Key:
CTIOPTPZTOYIHL-UHFFFAOYSA-N
SMILES:
COc1cc2C(=S)NCCc2cc1OC
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.29g/mol
Monoisotopic Mass:
223.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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