2H-thiopyran

C5H6S — CID 640539

IUPAC2H-thiopyran
SMILESC1=CCSC=C1
InChIInChI=1S/C5H6S/c1-2-4-6-5-3-1/h1-4H,5H2
InChIKeyQMDFJHAAWUGVKQ-UHFFFAOYSA-N
MW98.17 g/mol
LogP1.80
Rot. Bonds

About 2H-thiopyran

2H-thiopyran (PubChem CID 640539) has the molecular formula C5H6S and a molecular weight of 98.17 g/mol. Its IUPAC name is 2H-thiopyran.

Molecular Properties

Compound Name2H-thiopyran
PubChem CID640539
Molecular FormulaC5H6S
Molecular Weight98.17 g/mol
Exact Mass98.02
IUPAC Name2H-thiopyran
SMILESC1=CCSC=C1
InChIInChI=1S/C5H6S/c1-2-4-6-5-3-1/h1-4H,5H2
InChIKeyQMDFJHAAWUGVKQ-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-thiopyran?
The IUPAC name of 2H-thiopyran (CID 640539) is 2H-thiopyran.
What is the SMILES notation for 2H-thiopyran?
The canonical SMILES for 2H-thiopyran is C1=CCSC=C1.
What is the InChIKey of 2H-thiopyran?
The InChIKey is QMDFJHAAWUGVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S/c1-2-4-6-5-3-1/h1-4H,5H2.
What are the key properties of 2H-thiopyran?
2H-thiopyran has a molecular weight of 98.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thiopyran is sourced from PubChem (CID 640539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).