1-(9-methylthioxanthen-9-yl)ethanol

C16H16OS — CID 134892215

IUPAC1-(9-methylthioxanthen-9-yl)ethanol
SMILESCC(O)C1(C)c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H16OS/c1-11(17)16(2)12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-11,17H,1-2H3
InChIKeySTTMMAJQFKCJAE-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.84
Rot. Bonds1

About 1-(9-methylthioxanthen-9-yl)ethanol

1-(9-methylthioxanthen-9-yl)ethanol (PubChem CID 134892215) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(9-methylthioxanthen-9-yl)ethanol.

Molecular Properties

Compound Name1-(9-methylthioxanthen-9-yl)ethanol
PubChem CID134892215
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name1-(9-methylthioxanthen-9-yl)ethanol
SMILESCC(O)C1(C)c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H16OS/c1-11(17)16(2)12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-11,17H,1-2H3
InChIKeySTTMMAJQFKCJAE-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9-methylthioxanthen-9-yl)ethanol?
The IUPAC name of 1-(9-methylthioxanthen-9-yl)ethanol (CID 134892215) is 1-(9-methylthioxanthen-9-yl)ethanol.
What is the SMILES notation for 1-(9-methylthioxanthen-9-yl)ethanol?
The canonical SMILES for 1-(9-methylthioxanthen-9-yl)ethanol is CC(O)C1(C)c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-(9-methylthioxanthen-9-yl)ethanol?
The InChIKey is STTMMAJQFKCJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c1-11(17)16(2)12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-11,17H,1-2H3.
What are the key properties of 1-(9-methylthioxanthen-9-yl)ethanol?
1-(9-methylthioxanthen-9-yl)ethanol has a molecular weight of 256.37 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methylthioxanthen-9-yl)ethanol is sourced from PubChem (CID 134892215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).