2,5-dihydrothiophen-3-ylmethanol

C5H8OS — CID 18679282

IUPAC2,5-dihydrothiophen-3-ylmethanol
SMILESOCC1=CCSC1
InChIInChI=1S/C5H8OS/c6-3-5-1-2-7-4-5/h1,6H,2-4H2
InChIKeyCHDDJMHUAOGETO-UHFFFAOYSA-N
MW116.19 g/mol
LogP0.65
Rot. Bonds1

About 2,5-dihydrothiophen-3-ylmethanol

2,5-dihydrothiophen-3-ylmethanol (PubChem CID 18679282) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 2,5-dihydrothiophen-3-ylmethanol.

Molecular Properties

Compound Name2,5-dihydrothiophen-3-ylmethanol
PubChem CID18679282
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name2,5-dihydrothiophen-3-ylmethanol
SMILESOCC1=CCSC1
InChIInChI=1S/C5H8OS/c6-3-5-1-2-7-4-5/h1,6H,2-4H2
InChIKeyCHDDJMHUAOGETO-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydrothiophen-3-ylmethanol?
The IUPAC name of 2,5-dihydrothiophen-3-ylmethanol (CID 18679282) is 2,5-dihydrothiophen-3-ylmethanol.
What is the SMILES notation for 2,5-dihydrothiophen-3-ylmethanol?
The canonical SMILES for 2,5-dihydrothiophen-3-ylmethanol is OCC1=CCSC1.
What is the InChIKey of 2,5-dihydrothiophen-3-ylmethanol?
The InChIKey is CHDDJMHUAOGETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c6-3-5-1-2-7-4-5/h1,6H,2-4H2.
What are the key properties of 2,5-dihydrothiophen-3-ylmethanol?
2,5-dihydrothiophen-3-ylmethanol has a molecular weight of 116.19 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydrothiophen-3-ylmethanol is sourced from PubChem (CID 18679282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).