2,3-dihydrothiophen-3-ylmethanol

C5H8OS — CID 66580551

IUPAC2,3-dihydrothiophen-3-ylmethanol
SMILESOCC1C=CSC1
InChIInChI=1S/C5H8OS/c6-3-5-1-2-7-4-5/h1-2,5-6H,3-4H2
InChIKeyYEUNAOLILPUFBH-UHFFFAOYSA-N
MW116.19 g/mol
LogP0.86
Rot. Bonds1

About 2,3-dihydrothiophen-3-ylmethanol

2,3-dihydrothiophen-3-ylmethanol (PubChem CID 66580551) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 2,3-dihydrothiophen-3-ylmethanol.

Molecular Properties

Compound Name2,3-dihydrothiophen-3-ylmethanol
PubChem CID66580551
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name2,3-dihydrothiophen-3-ylmethanol
SMILESOCC1C=CSC1
InChIInChI=1S/C5H8OS/c6-3-5-1-2-7-4-5/h1-2,5-6H,3-4H2
InChIKeyYEUNAOLILPUFBH-UHFFFAOYSA-N
XLogP0.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiophen-3-ylmethanol?
The IUPAC name of 2,3-dihydrothiophen-3-ylmethanol (CID 66580551) is 2,3-dihydrothiophen-3-ylmethanol.
What is the SMILES notation for 2,3-dihydrothiophen-3-ylmethanol?
The canonical SMILES for 2,3-dihydrothiophen-3-ylmethanol is OCC1C=CSC1.
What is the InChIKey of 2,3-dihydrothiophen-3-ylmethanol?
The InChIKey is YEUNAOLILPUFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c6-3-5-1-2-7-4-5/h1-2,5-6H,3-4H2.
What are the key properties of 2,3-dihydrothiophen-3-ylmethanol?
2,3-dihydrothiophen-3-ylmethanol has a molecular weight of 116.19 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiophen-3-ylmethanol is sourced from PubChem (CID 66580551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).