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16140-23-1 | 9H-Thioxanthene-4-carboxylic acid, 1-[[2-(diethylamino)ethyl]amino]-9-oxo-
CAS No: 16140-23-1 Catalog No: AG001SFZ MDL No:
Product Description
Catalog Number:
AG001SFZ
Chemical Name:
9H-Thioxanthene-4-carboxylic acid, 1-[[2-(diethylamino)ethyl]amino]-9-oxo-
CAS Number:
16140-23-1
Molecular Formula:
C20H22N2O3S
Molecular Weight:
370.4653
IUPAC Name:
1-[2-(diethylamino)ethylamino]-9-oxothioxanthene-4-carboxylic acid
InChI:
InChI=1S/C20H22N2O3S/c1-3-22(4-2)12-11-21-15-10-9-14(20(24)25)19-17(15)18(23)13-7-5-6-8-16(13)26-19/h5-10,21H,3-4,11-12H2,1-2H3,(H,24,25)
InChI Key:
YFEPOZJRNIKWTC-UHFFFAOYSA-N
SMILES:
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C(=O)O)CC
UNII:
N327HQ8T5C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.135g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.467g/mol
Monoisotopic Mass:
370.135g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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