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144482-66-6

144482-66-6 | 9H-Thioxanthen-9-one, 2-[3-(diethylamino)propoxy]-

CAS No: 144482-66-6 Catalog No: AG001JMU MDL No:

Product Description

Catalog Number:
AG001JMU
Chemical Name:
9H-Thioxanthen-9-one, 2-[3-(diethylamino)propoxy]-
CAS Number:
144482-66-6
Molecular Formula:
C20H23NO2S
Molecular Weight:
341.4671
IUPAC Name:
2-[3-(diethylamino)propoxy]thioxanthen-9-one
InChI:
InChI=1S/C20H23NO2S/c1-3-21(4-2)12-7-13-23-15-10-11-19-17(14-15)20(22)16-8-5-6-9-18(16)24-19/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3
InChI Key:
PZXHPHKZEKBSRO-UHFFFAOYSA-N
SMILES:
CCN(CCCOc1ccc2c(c1)c(=O)c1c(s2)cccc1)CC

Properties

Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.145g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.469g/mol
Monoisotopic Mass:
341.145g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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