Compound C20H23ClN2O3S

6-chloro-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one

CAS: 17319-11-8

Molecular Formula	`C20H23ClN2O3S`
Molecular Weight	406.9 g/mol
LogP	2.3
Topological Polar Surface Area	98.1 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	406.1118
Heavy Atoms	27
Complexity	498.0

Chemical Identifiers

CAS Number	17319-11-8
SMILES	`CCN(CCNC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=CC(=C3)Cl)CCO`
InChIKey	`CTALNPUOYPMUNW-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H23ClN2O3S (CAS: 17319-11-8) is a chemical compound with molecular formula C20H23ClN2O3S and molecular weight 406.9 g/mol. Its IUPAC systematic name is 6-chloro-1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one. LogP 2.3 Topological Polar Surface Area 98.1 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 406.1118 Heavy Atoms 27 Complexity 498.0 InChI Key: CTALNPUOYPMUNW-UHFFFAOYSA-N. SMILES: CCN(CCNC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=CC(=C3)Cl)CCO.

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