2-(2H-thiopyran-2-yl)ethanol

C7H10OS — CID 175775699

IUPAC2-(2H-thiopyran-2-yl)ethanol
SMILESOCCC1C=CC=CS1
InChIInChI=1S/C7H10OS/c8-5-4-7-3-1-2-6-9-7/h1-3,6-8H,4-5H2
InChIKeyBNKIJUUXLXYCEL-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.55
Rot. Bonds2

About 2-(2H-thiopyran-2-yl)ethanol

2-(2H-thiopyran-2-yl)ethanol (PubChem CID 175775699) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 2-(2H-thiopyran-2-yl)ethanol.

Molecular Properties

Compound Name2-(2H-thiopyran-2-yl)ethanol
PubChem CID175775699
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name2-(2H-thiopyran-2-yl)ethanol
SMILESOCCC1C=CC=CS1
InChIInChI=1S/C7H10OS/c8-5-4-7-3-1-2-6-9-7/h1-3,6-8H,4-5H2
InChIKeyBNKIJUUXLXYCEL-UHFFFAOYSA-N
XLogP1.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-thiopyran-2-yl)ethanol?
The IUPAC name of 2-(2H-thiopyran-2-yl)ethanol (CID 175775699) is 2-(2H-thiopyran-2-yl)ethanol.
What is the SMILES notation for 2-(2H-thiopyran-2-yl)ethanol?
The canonical SMILES for 2-(2H-thiopyran-2-yl)ethanol is OCCC1C=CC=CS1.
What is the InChIKey of 2-(2H-thiopyran-2-yl)ethanol?
The InChIKey is BNKIJUUXLXYCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c8-5-4-7-3-1-2-6-9-7/h1-3,6-8H,4-5H2.
What are the key properties of 2-(2H-thiopyran-2-yl)ethanol?
2-(2H-thiopyran-2-yl)ethanol has a molecular weight of 142.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-thiopyran-2-yl)ethanol is sourced from PubChem (CID 175775699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).