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

C6H10OS — CID 18690613

IUPAC2-methoxy-3,4-dihydro-2H-thiopyran
SMILESCOC1CCC=CS1
InChIInChI=1S/C6H10OS/c1-7-6-4-2-3-5-8-6/h3,5-6H,2,4H2,1H3
InChIKeyKJGYXIAGJFUQBR-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.00
Rot. Bonds1

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

2-methoxy-3,4-dihydro-2H-thiopyran (PubChem CID 18690613) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-methoxy-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name2-methoxy-3,4-dihydro-2H-thiopyran
PubChem CID18690613
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-methoxy-3,4-dihydro-2H-thiopyran
SMILESCOC1CCC=CS1
InChIInChI=1S/C6H10OS/c1-7-6-4-2-3-5-8-6/h3,5-6H,2,4H2,1H3
InChIKeyKJGYXIAGJFUQBR-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4-dihydro-2H-thiopyran?
The IUPAC name of 2-methoxy-3,4-dihydro-2H-thiopyran (CID 18690613) is 2-methoxy-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 2-methoxy-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 2-methoxy-3,4-dihydro-2H-thiopyran is COC1CCC=CS1.
What is the InChIKey of 2-methoxy-3,4-dihydro-2H-thiopyran?
The InChIKey is KJGYXIAGJFUQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-7-6-4-2-3-5-8-6/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-methoxy-3,4-dihydro-2H-thiopyran?
2-methoxy-3,4-dihydro-2H-thiopyran has a molecular weight of 130.21 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 18690613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).