ethene;thiolane 1,1-dioxide

C6H12O2S — CID 157221677

IUPACethene;thiolane 1,1-dioxide
SMILESC=C.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.C2H4/c5-7(6)3-1-2-4-7;1-2/h1-4H2;1-2H2
InChIKeyATBMAWZNCXIFJF-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.00
Rot. Bonds

About ethene;thiolane 1,1-dioxide

ethene;thiolane 1,1-dioxide (PubChem CID 157221677) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is ethene;thiolane 1,1-dioxide.

Molecular Properties

Compound Nameethene;thiolane 1,1-dioxide
PubChem CID157221677
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Nameethene;thiolane 1,1-dioxide
SMILESC=C.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.C2H4/c5-7(6)3-1-2-4-7;1-2/h1-4H2;1-2H2
InChIKeyATBMAWZNCXIFJF-UHFFFAOYSA-N
XLogP1.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;thiolane 1,1-dioxide 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 ethene;thiolane 1,1-dioxide?
The IUPAC name of ethene;thiolane 1,1-dioxide (CID 157221677) is ethene;thiolane 1,1-dioxide.
What is the SMILES notation for ethene;thiolane 1,1-dioxide?
The canonical SMILES for ethene;thiolane 1,1-dioxide is C=C.O=S1(=O)CCCC1.
What is the InChIKey of ethene;thiolane 1,1-dioxide?
The InChIKey is ATBMAWZNCXIFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.C2H4/c5-7(6)3-1-2-4-7;1-2/h1-4H2;1-2H2.
What are the key properties of ethene;thiolane 1,1-dioxide?
ethene;thiolane 1,1-dioxide has a molecular weight of 148.23 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;thiolane 1,1-dioxide is sourced from PubChem (CID 157221677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).