2,3-dihydrothiophen-3-ol

C4H6OS — CID 67424077

IUPAC2,3-dihydrothiophen-3-ol
SMILESOC1C=CSC1
InChIInChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-2,4-5H,3H2
InChIKeyVYZQXZPHONBASA-UHFFFAOYSA-N
MW102.16 g/mol
LogP0.61
Rot. Bonds

About 2,3-dihydrothiophen-3-ol

2,3-dihydrothiophen-3-ol (PubChem CID 67424077) has the molecular formula C4H6OS and a molecular weight of 102.16 g/mol. Its IUPAC name is 2,3-dihydrothiophen-3-ol.

Molecular Properties

Compound Name2,3-dihydrothiophen-3-ol
PubChem CID67424077
Molecular FormulaC4H6OS
Molecular Weight102.16 g/mol
Exact Mass102.01
IUPAC Name2,3-dihydrothiophen-3-ol
SMILESOC1C=CSC1
InChIInChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-2,4-5H,3H2
InChIKeyVYZQXZPHONBASA-UHFFFAOYSA-N
XLogP0.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 50.61
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-ol?
The IUPAC name of 2,3-dihydrothiophen-3-ol (CID 67424077) is 2,3-dihydrothiophen-3-ol.
What is the SMILES notation for 2,3-dihydrothiophen-3-ol?
The canonical SMILES for 2,3-dihydrothiophen-3-ol is OC1C=CSC1.
What is the InChIKey of 2,3-dihydrothiophen-3-ol?
The InChIKey is VYZQXZPHONBASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-2,4-5H,3H2.
What are the key properties of 2,3-dihydrothiophen-3-ol?
2,3-dihydrothiophen-3-ol has a molecular weight of 102.16 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiophen-3-ol is sourced from PubChem (CID 67424077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).