4-methoxy-3,6-dihydro-2H-thiopyran

C6H10OS — CID 18934922

IUPAC4-methoxy-3,6-dihydro-2H-thiopyran
SMILESCOC1=CCSCC1
InChIInChI=1S/C6H10OS/c1-7-6-2-4-8-5-3-6/h2H,3-5H2,1H3
InChIKeyHJRITXIURQRVQY-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.65
Rot. Bonds1

About 4-methoxy-3,6-dihydro-2H-thiopyran

4-methoxy-3,6-dihydro-2H-thiopyran (PubChem CID 18934922) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-methoxy-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-methoxy-3,6-dihydro-2H-thiopyran
PubChem CID18934922
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name4-methoxy-3,6-dihydro-2H-thiopyran
SMILESCOC1=CCSCC1
InChIInChI=1S/C6H10OS/c1-7-6-2-4-8-5-3-6/h2H,3-5H2,1H3
InChIKeyHJRITXIURQRVQY-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,6-dihydro-2H-thiopyran?
The IUPAC name of 4-methoxy-3,6-dihydro-2H-thiopyran (CID 18934922) is 4-methoxy-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 4-methoxy-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 4-methoxy-3,6-dihydro-2H-thiopyran is COC1=CCSCC1.
What is the InChIKey of 4-methoxy-3,6-dihydro-2H-thiopyran?
The InChIKey is HJRITXIURQRVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-7-6-2-4-8-5-3-6/h2H,3-5H2,1H3.
What are the key properties of 4-methoxy-3,6-dihydro-2H-thiopyran?
4-methoxy-3,6-dihydro-2H-thiopyran has a molecular weight of 130.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 18934922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).