2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol

C16H16O2S2 — CID 67359226

IUPAC2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol
SMILESOCCc1cc(CCO)c2c(c1)Sc1ccccc1S2
InChIInChI=1S/C16H16O2S2/c17-7-5-11-9-12(6-8-18)16-15(10-11)19-13-3-1-2-4-14(13)20-16/h1-4,9-10,17-18H,5-8H2
InChIKeySOESDPZOSZJJMW-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.37
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol

2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol (PubChem CID 67359226) has the molecular formula C16H16O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol
PubChem CID67359226
Molecular FormulaC16H16O2S2
Molecular Weight304.44 g/mol
Exact Mass304.06
IUPAC Name2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol
SMILESOCCc1cc(CCO)c2c(c1)Sc1ccccc1S2
InChIInChI=1S/C16H16O2S2/c17-7-5-11-9-12(6-8-18)16-15(10-11)19-13-3-1-2-4-14(13)20-16/h1-4,9-10,17-18H,5-8H2
InChIKeySOESDPZOSZJJMW-UHFFFAOYSA-N
XLogP3.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol (CID 67359226) is 2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol is OCCc1cc(CCO)c2c(c1)Sc1ccccc1S2.
What is the InChIKey of 2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol?
The InChIKey is SOESDPZOSZJJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S2/c17-7-5-11-9-12(6-8-18)16-15(10-11)19-13-3-1-2-4-14(13)20-16/h1-4,9-10,17-18H,5-8H2.
What are the key properties of 2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol?
2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol has a molecular weight of 304.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)thianthren-2-yl]ethanol is sourced from PubChem (CID 67359226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).