3,4-dihydro-2H-thiopyran-2-ol

C5H8OS — CID 154016812

IUPAC3,4-dihydro-2H-thiopyran-2-ol
SMILESOC1CCC=CS1
InChIInChI=1S/C5H8OS/c6-5-3-1-2-4-7-5/h2,4-6H,1,3H2
InChIKeyIBUVIELOAWAEDB-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.35
Rot. Bonds

About 3,4-dihydro-2H-thiopyran-2-ol

3,4-dihydro-2H-thiopyran-2-ol (PubChem CID 154016812) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiopyran-2-ol.

Molecular Properties

Compound Name3,4-dihydro-2H-thiopyran-2-ol
PubChem CID154016812
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name3,4-dihydro-2H-thiopyran-2-ol
SMILESOC1CCC=CS1
InChIInChI=1S/C5H8OS/c6-5-3-1-2-4-7-5/h2,4-6H,1,3H2
InChIKeyIBUVIELOAWAEDB-UHFFFAOYSA-N
XLogP1.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiopyran-2-ol?
The IUPAC name of 3,4-dihydro-2H-thiopyran-2-ol (CID 154016812) is 3,4-dihydro-2H-thiopyran-2-ol.
What is the SMILES notation for 3,4-dihydro-2H-thiopyran-2-ol?
The canonical SMILES for 3,4-dihydro-2H-thiopyran-2-ol is OC1CCC=CS1.
What is the InChIKey of 3,4-dihydro-2H-thiopyran-2-ol?
The InChIKey is IBUVIELOAWAEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c6-5-3-1-2-4-7-5/h2,4-6H,1,3H2.
What are the key properties of 3,4-dihydro-2H-thiopyran-2-ol?
3,4-dihydro-2H-thiopyran-2-ol has a molecular weight of 116.18 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiopyran-2-ol is sourced from PubChem (CID 154016812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).