8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol

C19H24N2O2S — CID 54399393

IUPAC8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol
SMILESCCN(CC)CCNc1cccc2c1Cc1cc(O)cc(O)c1S2
InChIInChI=1S/C19H24N2O2S/c1-3-21(4-2)9-8-20-16-6-5-7-18-15(16)11-13-10-14(22)12-17(23)19(13)24-18/h5-7,10,12,20,22-23H,3-4,8-9,11H2,1-2H3
InChIKeyVMIDQOUQFYAAEF-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.91
Rot. Bonds6

About 8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol

8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol (PubChem CID 54399393) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol.

Molecular Properties

Compound Name8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol
PubChem CID54399393
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol
SMILESCCN(CC)CCNc1cccc2c1Cc1cc(O)cc(O)c1S2
InChIInChI=1S/C19H24N2O2S/c1-3-21(4-2)9-8-20-16-6-5-7-18-15(16)11-13-10-14(22)12-17(23)19(13)24-18/h5-7,10,12,20,22-23H,3-4,8-9,11H2,1-2H3
InChIKeyVMIDQOUQFYAAEF-UHFFFAOYSA-N
XLogP3.91
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)-9H-thioxanthen-1-yl]-N',N'-diethylethane-1,2-diamine
CID 150125575
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667
3-N-[2-(diethylamino)ethyl]-2-methylbenzene-1,3-diamine
CID 63076066
[7-bromo-1-[2-(diethylamino)ethylamino]-10-oxo-9H-thioxanthen-4-yl]methanol
CID 67799243
N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 12714490
2-bromo-6-[2-(diethylamino)ethylamino]benzonitrile
CID 114880409
2-bromo-8-[2-(diethylamino)ethylamino]-5-(hydroxymethyl)-3,9-dihydrothioxanthen-4-one
CID 67799241
2-[2-(diethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one;dihydrochloride
CID 138398310
2-[2-(diethylamino)ethylamino]benzenecarbothioamide
CID 28601052
5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol
CID 137198990
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
CID 15280089

Frequently Asked Questions

What is the IUPAC name of 8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol?
The IUPAC name of 8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol (CID 54399393) is 8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol.
What is the SMILES notation for 8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol?
The canonical SMILES for 8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol is CCN(CC)CCNc1cccc2c1Cc1cc(O)cc(O)c1S2.
What is the InChIKey of 8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol?
The InChIKey is VMIDQOUQFYAAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-3-21(4-2)9-8-20-16-6-5-7-18-15(16)11-13-10-14(22)12-17(23)19(13)24-18/h5-7,10,12,20,22-23H,3-4,8-9,11H2,1-2H3.
What are the key properties of 8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol?
8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol has a molecular weight of 344.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(diethylamino)ethylamino]-9H-thioxanthene-2,4-diol is sourced from PubChem (CID 54399393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).