3,4-dihydro-2H-pyran-3,4-dithiol

C5H8OS2 — CID 170360269

IUPAC3,4-dihydro-2H-pyran-3,4-dithiol
SMILESSC1C=COCC1S
InChIInChI=1S/C5H8OS2/c7-4-1-2-6-3-5(4)8/h1-2,4-5,7-8H,3H2
InChIKeyMBLKHSXLCOVBPD-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.13
Rot. Bonds

About 3,4-dihydro-2H-pyran-3,4-dithiol

3,4-dihydro-2H-pyran-3,4-dithiol (PubChem CID 170360269) has the molecular formula C5H8OS2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-3,4-dithiol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-3,4-dithiol
PubChem CID170360269
Molecular FormulaC5H8OS2
Molecular Weight148.25 g/mol
Exact Mass148.00
IUPAC Name3,4-dihydro-2H-pyran-3,4-dithiol
SMILESSC1C=COCC1S
InChIInChI=1S/C5H8OS2/c7-4-1-2-6-3-5(4)8/h1-2,4-5,7-8H,3H2
InChIKeyMBLKHSXLCOVBPD-UHFFFAOYSA-N
XLogP1.13
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-3,4-dithiol?
The IUPAC name of 3,4-dihydro-2H-pyran-3,4-dithiol (CID 170360269) is 3,4-dihydro-2H-pyran-3,4-dithiol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-3,4-dithiol?
The canonical SMILES for 3,4-dihydro-2H-pyran-3,4-dithiol is SC1C=COCC1S.
What is the InChIKey of 3,4-dihydro-2H-pyran-3,4-dithiol?
The InChIKey is MBLKHSXLCOVBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS2/c7-4-1-2-6-3-5(4)8/h1-2,4-5,7-8H,3H2.
What are the key properties of 3,4-dihydro-2H-pyran-3,4-dithiol?
3,4-dihydro-2H-pyran-3,4-dithiol has a molecular weight of 148.25 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-3,4-dithiol is sourced from PubChem (CID 170360269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).