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

C11H18OS2 — CID 19352752

IUPAC3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran
SMILESC1=CSCCC1.COC1CCC=CS1
InChIInChI=1S/C6H10OS.C5H8S/c1-7-6-4-2-3-5-8-6;1-2-4-6-5-3-1/h3,5-6H,2,4H2,1H3;2,4H,1,3,5H2
InChIKeyNEZBHNZLTKFREQ-UHFFFAOYSA-N
MW230.40 g/mol
LogP4.03
Rot. Bonds1

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

3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran (PubChem CID 19352752) has the molecular formula C11H18OS2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran
PubChem CID19352752
Molecular FormulaC11H18OS2
Molecular Weight230.40 g/mol
Exact Mass230.08
IUPAC Name3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran
SMILESC1=CSCCC1.COC1CCC=CS1
InChIInChI=1S/C6H10OS.C5H8S/c1-7-6-4-2-3-5-8-6;1-2-4-6-5-3-1/h3,5-6H,2,4H2,1H3;2,4H,1,3,5H2
InChIKeyNEZBHNZLTKFREQ-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran?
The IUPAC name of 3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran (CID 19352752) is 3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran is C1=CSCCC1.COC1CCC=CS1.
What is the InChIKey of 3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran?
The InChIKey is NEZBHNZLTKFREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS.C5H8S/c1-7-6-4-2-3-5-8-6;1-2-4-6-5-3-1/h3,5-6H,2,4H2,1H3;2,4H,1,3,5H2.
What are the key properties of 3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran?
3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran has a molecular weight of 230.40 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 19352752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).