1-thianthren-2-ylethanol

C14H12OS2 — CID 515169

IUPAC1-thianthren-2-ylethanol
SMILESCC(O)c1ccc2c(c1)Sc1ccccc1S2
InChIInChI=1S/C14H12OS2/c1-9(15)10-6-7-13-14(8-10)17-12-5-3-2-4-11(12)16-13/h2-9,15H,1H3
InChIKeyHORUIUBBAILMEI-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.36
Rot. Bonds1

About 1-thianthren-2-ylethanol

1-thianthren-2-ylethanol (PubChem CID 515169) has the molecular formula C14H12OS2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-thianthren-2-ylethanol.

Molecular Properties

Compound Name1-thianthren-2-ylethanol
PubChem CID515169
Molecular FormulaC14H12OS2
Molecular Weight260.38 g/mol
Exact Mass260.03
IUPAC Name1-thianthren-2-ylethanol
SMILESCC(O)c1ccc2c(c1)Sc1ccccc1S2
InChIInChI=1S/C14H12OS2/c1-9(15)10-6-7-13-14(8-10)17-12-5-3-2-4-11(12)16-13/h2-9,15H,1H3
InChIKeyHORUIUBBAILMEI-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thianthren-2-ylethanol?
The IUPAC name of 1-thianthren-2-ylethanol (CID 515169) is 1-thianthren-2-ylethanol.
What is the SMILES notation for 1-thianthren-2-ylethanol?
The canonical SMILES for 1-thianthren-2-ylethanol is CC(O)c1ccc2c(c1)Sc1ccccc1S2.
What is the InChIKey of 1-thianthren-2-ylethanol?
The InChIKey is HORUIUBBAILMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS2/c1-9(15)10-6-7-13-14(8-10)17-12-5-3-2-4-11(12)16-13/h2-9,15H,1H3.
What are the key properties of 1-thianthren-2-ylethanol?
1-thianthren-2-ylethanol has a molecular weight of 260.38 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thianthren-2-ylethanol is sourced from PubChem (CID 515169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).