2,5-bis(ethenyl)thiolane 1,1-dioxide

C8H12O2S — CID 12634220

IUPAC2,5-bis(ethenyl)thiolane 1,1-dioxide
SMILESC=CC1CCC(C=C)S1(=O)=O
InChIInChI=1S/C8H12O2S/c1-3-7-5-6-8(4-2)11(7,9)10/h3-4,7-8H,1-2,5-6H2
InChIKeyRCEVXMTZJLYJFU-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.30
Rot. Bonds2

About 2,5-bis(ethenyl)thiolane 1,1-dioxide

2,5-bis(ethenyl)thiolane 1,1-dioxide (PubChem CID 12634220) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 2,5-bis(ethenyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,5-bis(ethenyl)thiolane 1,1-dioxide
PubChem CID12634220
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name2,5-bis(ethenyl)thiolane 1,1-dioxide
SMILESC=CC1CCC(C=C)S1(=O)=O
InChIInChI=1S/C8H12O2S/c1-3-7-5-6-8(4-2)11(7,9)10/h3-4,7-8H,1-2,5-6H2
InChIKeyRCEVXMTZJLYJFU-UHFFFAOYSA-N
XLogP1.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenyl)thiolane 1,1-dioxide?
The IUPAC name of 2,5-bis(ethenyl)thiolane 1,1-dioxide (CID 12634220) is 2,5-bis(ethenyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2,5-bis(ethenyl)thiolane 1,1-dioxide?
The canonical SMILES for 2,5-bis(ethenyl)thiolane 1,1-dioxide is C=CC1CCC(C=C)S1(=O)=O.
What is the InChIKey of 2,5-bis(ethenyl)thiolane 1,1-dioxide?
The InChIKey is RCEVXMTZJLYJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-3-7-5-6-8(4-2)11(7,9)10/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2,5-bis(ethenyl)thiolane 1,1-dioxide?
2,5-bis(ethenyl)thiolane 1,1-dioxide has a molecular weight of 172.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenyl)thiolane 1,1-dioxide is sourced from PubChem (CID 12634220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).