6-(2H-thiopyran-5-yl)-2H-pyran

C10H10OS — CID 18980405

IUPAC6-(2H-thiopyran-5-yl)-2H-pyran
SMILESC1=CCOC(C2=CSCC=C2)=C1
InChIInChI=1S/C10H10OS/c1-2-6-11-10(5-1)9-4-3-7-12-8-9/h1-5,8H,6-7H2
InChIKeyVKRLFACYJNJYNW-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.64
Rot. Bonds1

About 6-(2H-thiopyran-5-yl)-2H-pyran

6-(2H-thiopyran-5-yl)-2H-pyran (PubChem CID 18980405) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 6-(2H-thiopyran-5-yl)-2H-pyran.

Molecular Properties

Compound Name6-(2H-thiopyran-5-yl)-2H-pyran
PubChem CID18980405
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name6-(2H-thiopyran-5-yl)-2H-pyran
SMILESC1=CCOC(C2=CSCC=C2)=C1
InChIInChI=1S/C10H10OS/c1-2-6-11-10(5-1)9-4-3-7-12-8-9/h1-5,8H,6-7H2
InChIKeyVKRLFACYJNJYNW-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2H-thiopyran-5-yl)-2H-pyran?
The IUPAC name of 6-(2H-thiopyran-5-yl)-2H-pyran (CID 18980405) is 6-(2H-thiopyran-5-yl)-2H-pyran.
What is the SMILES notation for 6-(2H-thiopyran-5-yl)-2H-pyran?
The canonical SMILES for 6-(2H-thiopyran-5-yl)-2H-pyran is C1=CCOC(C2=CSCC=C2)=C1.
What is the InChIKey of 6-(2H-thiopyran-5-yl)-2H-pyran?
The InChIKey is VKRLFACYJNJYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-2-6-11-10(5-1)9-4-3-7-12-8-9/h1-5,8H,6-7H2.
What are the key properties of 6-(2H-thiopyran-5-yl)-2H-pyran?
6-(2H-thiopyran-5-yl)-2H-pyran has a molecular weight of 178.26 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2H-thiopyran-5-yl)-2H-pyran is sourced from PubChem (CID 18980405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).