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336185-28-5 | 6,7-DIETHOXY-3,4-DIHYDROISOQUINOLINE-1(2H)-THIONE, 98
CAS No: 336185-28-5 Catalog No: AG00CU8D MDL No:
Product Description
Catalog Number:
AG00CU8D
Chemical Name:
6,7-DIETHOXY-3,4-DIHYDROISOQUINOLINE-1(2H)-THIONE, 98
CAS Number:
336185-28-5
IUPAC Name:
6,7-diethoxy-3,4-dihydro-2H-isoquinoline-1-thione
InChI:
InChI=1S/C13H17NO2S/c1-3-15-11-7-9-5-6-14-13(17)10(9)8-12(11)16-4-2/h7-8H,3-6H2,1-2H3,(H,14,17)
InChI Key:
XBGAAJXXBWSEBR-UHFFFAOYSA-N
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.344g/mol
Monoisotopic Mass:
251.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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