2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol

C6H10O2S — CID 90799854

IUPAC2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol
SMILESCC(O)C1SC=CC1O
InChIInChI=1S/C6H10O2S/c1-4(7)6-5(8)2-3-9-6/h2-8H,1H3
InChIKeyLXHOUYAFSMPJFB-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.36
Rot. Bonds1

About 2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol

2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol (PubChem CID 90799854) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol
PubChem CID90799854
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol
SMILESCC(O)C1SC=CC1O
InChIInChI=1S/C6H10O2S/c1-4(7)6-5(8)2-3-9-6/h2-8H,1H3
InChIKeyLXHOUYAFSMPJFB-UHFFFAOYSA-N
XLogP0.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol?
The IUPAC name of 2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol (CID 90799854) is 2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol.
What is the SMILES notation for 2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol?
The canonical SMILES for 2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol is CC(O)C1SC=CC1O.
What is the InChIKey of 2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol?
The InChIKey is LXHOUYAFSMPJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-4(7)6-5(8)2-3-9-6/h2-8H,1H3.
What are the key properties of 2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol?
2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol has a molecular weight of 146.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-2,3-dihydrothiophen-3-ol is sourced from PubChem (CID 90799854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).