1,4-dithiane;oxolane

C8H16OS2 — CID 174407704

IUPAC1,4-dithiane;oxolane
SMILESC1CCOC1.C1CSCCS1
InChIInChI=1S/C4H8O.C4H8S2/c1-2-4-5-3-1;1-2-6-4-3-5-1/h1-4H2;1-4H2
InChIKeyQNNHHYNVRHGYAQ-UHFFFAOYSA-N
MW192.35 g/mol
LogP2.26
Rot. Bonds

About 1,4-dithiane;oxolane

1,4-dithiane;oxolane (PubChem CID 174407704) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1,4-dithiane;oxolane.

Molecular Properties

Compound Name1,4-dithiane;oxolane
PubChem CID174407704
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name1,4-dithiane;oxolane
SMILESC1CCOC1.C1CSCCS1
InChIInChI=1S/C4H8O.C4H8S2/c1-2-4-5-3-1;1-2-6-4-3-5-1/h1-4H2;1-4H2
InChIKeyQNNHHYNVRHGYAQ-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dithiane;oxolane?
The IUPAC name of 1,4-dithiane;oxolane (CID 174407704) is 1,4-dithiane;oxolane.
What is the SMILES notation for 1,4-dithiane;oxolane?
The canonical SMILES for 1,4-dithiane;oxolane is C1CCOC1.C1CSCCS1.
What is the InChIKey of 1,4-dithiane;oxolane?
The InChIKey is QNNHHYNVRHGYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H8S2/c1-2-4-5-3-1;1-2-6-4-3-5-1/h1-4H2;1-4H2.
What are the key properties of 1,4-dithiane;oxolane?
1,4-dithiane;oxolane has a molecular weight of 192.35 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithiane;oxolane is sourced from PubChem (CID 174407704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).