3,6-dihydro-2H-thiopyran

C5H8S — CID 567880

IUPAC3,6-dihydro-2H-thiopyran
SMILESC1=CCSCC1
InChIInChI=1S/C5H8S/c1-2-4-6-5-3-1/h1-2H,3-5H2
InChIKeyUNVYSECOIMWWKM-UHFFFAOYSA-N
MW100.19 g/mol
LogP1.68
Rot. Bonds

About 3,6-dihydro-2H-thiopyran

3,6-dihydro-2H-thiopyran (PubChem CID 567880) has the molecular formula C5H8S and a molecular weight of 100.19 g/mol. Its IUPAC name is 3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name3,6-dihydro-2H-thiopyran
PubChem CID567880
Molecular FormulaC5H8S
Molecular Weight100.19 g/mol
Exact Mass100.03
IUPAC Name3,6-dihydro-2H-thiopyran
SMILESC1=CCSCC1
InChIInChI=1S/C5H8S/c1-2-4-6-5-3-1/h1-2H,3-5H2
InChIKeyUNVYSECOIMWWKM-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-thiopyran?
The IUPAC name of 3,6-dihydro-2H-thiopyran (CID 567880) is 3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 3,6-dihydro-2H-thiopyran?
The canonical SMILES for 3,6-dihydro-2H-thiopyran is C1=CCSCC1.
What is the InChIKey of 3,6-dihydro-2H-thiopyran?
The InChIKey is UNVYSECOIMWWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8S/c1-2-4-6-5-3-1/h1-2H,3-5H2.
What are the key properties of 3,6-dihydro-2H-thiopyran?
3,6-dihydro-2H-thiopyran has a molecular weight of 100.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 567880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).