2,3-dihydrofuran;1,3-dithiane

C8H14OS2 — CID 159667538

IUPAC2,3-dihydrofuran;1,3-dithiane
SMILESC1=COCC1.C1CSCSC1
InChIInChI=1S/C4H6O.C4H8S2/c1-2-4-5-3-1;1-2-5-4-6-3-1/h1,3H,2,4H2;1-4H2
InChIKeyMTPHZDUMGBONLV-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.73
Rot. Bonds

About 2,3-dihydrofuran;1,3-dithiane

2,3-dihydrofuran;1,3-dithiane (PubChem CID 159667538) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2,3-dihydrofuran;1,3-dithiane.

Molecular Properties

Compound Name2,3-dihydrofuran;1,3-dithiane
PubChem CID159667538
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name2,3-dihydrofuran;1,3-dithiane
SMILESC1=COCC1.C1CSCSC1
InChIInChI=1S/C4H6O.C4H8S2/c1-2-4-5-3-1;1-2-5-4-6-3-1/h1,3H,2,4H2;1-4H2
InChIKeyMTPHZDUMGBONLV-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran;1,3-dithiane?
The IUPAC name of 2,3-dihydrofuran;1,3-dithiane (CID 159667538) is 2,3-dihydrofuran;1,3-dithiane.
What is the SMILES notation for 2,3-dihydrofuran;1,3-dithiane?
The canonical SMILES for 2,3-dihydrofuran;1,3-dithiane is C1=COCC1.C1CSCSC1.
What is the InChIKey of 2,3-dihydrofuran;1,3-dithiane?
The InChIKey is MTPHZDUMGBONLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C4H8S2/c1-2-4-5-3-1;1-2-5-4-6-3-1/h1,3H,2,4H2;1-4H2.
What are the key properties of 2,3-dihydrofuran;1,3-dithiane?
2,3-dihydrofuran;1,3-dithiane has a molecular weight of 190.33 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran;1,3-dithiane is sourced from PubChem (CID 159667538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).