2,3-dihydrothiophen-5-ylmethanol

C5H8OS — CID 10953472

IUPAC2,3-dihydrothiophen-5-ylmethanol
SMILESOCC1=CCCS1
InChIInChI=1S/C5H8OS/c6-4-5-2-1-3-7-5/h2,6H,1,3-4H2
InChIKeyUDVDAVGQLVWJTF-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.00
Rot. Bonds1

About 2,3-dihydrothiophen-5-ylmethanol

2,3-dihydrothiophen-5-ylmethanol (PubChem CID 10953472) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 2,3-dihydrothiophen-5-ylmethanol.

Molecular Properties

Compound Name2,3-dihydrothiophen-5-ylmethanol
PubChem CID10953472
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name2,3-dihydrothiophen-5-ylmethanol
SMILESOCC1=CCCS1
InChIInChI=1S/C5H8OS/c6-4-5-2-1-3-7-5/h2,6H,1,3-4H2
InChIKeyUDVDAVGQLVWJTF-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiophen-5-ylmethanol?
The IUPAC name of 2,3-dihydrothiophen-5-ylmethanol (CID 10953472) is 2,3-dihydrothiophen-5-ylmethanol.
What is the SMILES notation for 2,3-dihydrothiophen-5-ylmethanol?
The canonical SMILES for 2,3-dihydrothiophen-5-ylmethanol is OCC1=CCCS1.
What is the InChIKey of 2,3-dihydrothiophen-5-ylmethanol?
The InChIKey is UDVDAVGQLVWJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c6-4-5-2-1-3-7-5/h2,6H,1,3-4H2.
What are the key properties of 2,3-dihydrothiophen-5-ylmethanol?
2,3-dihydrothiophen-5-ylmethanol has a molecular weight of 116.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiophen-5-ylmethanol is sourced from PubChem (CID 10953472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).