2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol

C17H19NO2S — CID 50852166

IUPAC2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol
SMILESCN(C)CCOc1ccc2c(c1)C(O)c1ccccc1S2
InChIInChI=1S/C17H19NO2S/c1-18(2)9-10-20-12-7-8-16-14(11-12)17(19)13-5-3-4-6-15(13)21-16/h3-8,11,17,19H,9-10H2,1-2H3
InChIKeySXRHQCIVAKRUPE-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol

2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol (PubChem CID 50852166) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol
PubChem CID50852166
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol
SMILESCN(C)CCOc1ccc2c(c1)C(O)c1ccccc1S2
InChIInChI=1S/C17H19NO2S/c1-18(2)9-10-20-12-7-8-16-14(11-12)17(19)13-5-3-4-6-15(13)21-16/h3-8,11,17,19H,9-10H2,1-2H3
InChIKeySXRHQCIVAKRUPE-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol (CID 50852166) is 2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol is CN(C)CCOc1ccc2c(c1)C(O)c1ccccc1S2.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol?
The InChIKey is SXRHQCIVAKRUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-18(2)9-10-20-12-7-8-16-14(11-12)17(19)13-5-3-4-6-15(13)21-16/h3-8,11,17,19H,9-10H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol?
2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol has a molecular weight of 301.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-9H-thioxanthen-9-ol is sourced from PubChem (CID 50852166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).