5-methoxy-3,6-dihydro-2H-thiopyran-3-ol

C6H10O2S — CID 12521136

IUPAC5-methoxy-3,6-dihydro-2H-thiopyran-3-ol
SMILESCOC1=CC(O)CSC1
InChIInChI=1S/C6H10O2S/c1-8-6-2-5(7)3-9-4-6/h2,5,7H,3-4H2,1H3
InChIKeyHNMQSWYIKUNRJE-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.62
Rot. Bonds1

About 5-methoxy-3,6-dihydro-2H-thiopyran-3-ol

5-methoxy-3,6-dihydro-2H-thiopyran-3-ol (PubChem CID 12521136) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 5-methoxy-3,6-dihydro-2H-thiopyran-3-ol.

Molecular Properties

Compound Name5-methoxy-3,6-dihydro-2H-thiopyran-3-ol
PubChem CID12521136
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name5-methoxy-3,6-dihydro-2H-thiopyran-3-ol
SMILESCOC1=CC(O)CSC1
InChIInChI=1S/C6H10O2S/c1-8-6-2-5(7)3-9-4-6/h2,5,7H,3-4H2,1H3
InChIKeyHNMQSWYIKUNRJE-UHFFFAOYSA-N
XLogP0.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,6-dihydro-2H-thiopyran-3-ol?
The IUPAC name of 5-methoxy-3,6-dihydro-2H-thiopyran-3-ol (CID 12521136) is 5-methoxy-3,6-dihydro-2H-thiopyran-3-ol.
What is the SMILES notation for 5-methoxy-3,6-dihydro-2H-thiopyran-3-ol?
The canonical SMILES for 5-methoxy-3,6-dihydro-2H-thiopyran-3-ol is COC1=CC(O)CSC1.
What is the InChIKey of 5-methoxy-3,6-dihydro-2H-thiopyran-3-ol?
The InChIKey is HNMQSWYIKUNRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-8-6-2-5(7)3-9-4-6/h2,5,7H,3-4H2,1H3.
What are the key properties of 5-methoxy-3,6-dihydro-2H-thiopyran-3-ol?
5-methoxy-3,6-dihydro-2H-thiopyran-3-ol has a molecular weight of 146.21 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,6-dihydro-2H-thiopyran-3-ol is sourced from PubChem (CID 12521136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).