oxathiane;sulfur trioxide

C4H8O4S2 — CID 70345174

IUPACoxathiane;sulfur trioxide
SMILESC1CCSOC1.O=S(=O)=O
InChIInChI=1S/C4H8OS.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-4H2;
InChIKeyVUQNRIPCTLZMGM-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.44
Rot. Bonds

About oxathiane;sulfur trioxide

oxathiane;sulfur trioxide (PubChem CID 70345174) has the molecular formula C4H8O4S2 and a molecular weight of 184.24 g/mol. Its IUPAC name is oxathiane;sulfur trioxide.

Molecular Properties

Compound Nameoxathiane;sulfur trioxide
PubChem CID70345174
Molecular FormulaC4H8O4S2
Molecular Weight184.24 g/mol
Exact Mass183.99
IUPAC Nameoxathiane;sulfur trioxide
SMILESC1CCSOC1.O=S(=O)=O
InChIInChI=1S/C4H8OS.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-4H2;
InChIKeyVUQNRIPCTLZMGM-UHFFFAOYSA-N
XLogP0.44
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze oxathiane;sulfur trioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxathiane;sulfur trioxide?
The IUPAC name of oxathiane;sulfur trioxide (CID 70345174) is oxathiane;sulfur trioxide.
What is the SMILES notation for oxathiane;sulfur trioxide?
The canonical SMILES for oxathiane;sulfur trioxide is C1CCSOC1.O=S(=O)=O.
What is the InChIKey of oxathiane;sulfur trioxide?
The InChIKey is VUQNRIPCTLZMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-4H2;.
What are the key properties of oxathiane;sulfur trioxide?
oxathiane;sulfur trioxide has a molecular weight of 184.24 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxathiane;sulfur trioxide is sourced from PubChem (CID 70345174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).