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65208-30-2 | [[1-[2-(2-benzothiazolylthio)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin-6-yl]methylene]malononitrile
CAS No: 65208-30-2 Catalog No: AG00EOQL MDL No:
Product Description
Catalog Number:
AG00EOQL
Chemical Name:
[[1-[2-(2-benzothiazolylthio)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin-6-yl]methylene]malononitrile
CAS Number:
65208-30-2
IUPAC Name:
2-[[1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]propanedinitrile
InChI:
InChI=1S/C25H24N4S2/c1-17-14-25(2,3)29(10-11-30-24-28-21-6-4-5-7-23(21)31-24)22-9-8-18(13-20(17)22)12-19(15-26)16-27/h4-9,12-13,17H,10-11,14H2,1-3H3
InChI Key:
KUWSCZAJGCYZFJ-UHFFFAOYSA-N
EC Number:
265-627-6
Properties
Complexity:
757
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.144g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.615g/mol
Monoisotopic Mass:
444.144g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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