3,4-bis(ethenyl)thiolane 1,1-dioxide

C8H12O2S — CID 137373407

IUPAC3,4-bis(ethenyl)thiolane 1,1-dioxide
SMILESC=CC1CS(=O)(=O)CC1C=C
InChIInChI=1S/C8H12O2S/c1-3-7-5-11(9,10)6-8(7)4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyNFYDEJRJLDEGCT-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.02
Rot. Bonds2

About 3,4-bis(ethenyl)thiolane 1,1-dioxide

3,4-bis(ethenyl)thiolane 1,1-dioxide (PubChem CID 137373407) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 3,4-bis(ethenyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3,4-bis(ethenyl)thiolane 1,1-dioxide
PubChem CID137373407
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name3,4-bis(ethenyl)thiolane 1,1-dioxide
SMILESC=CC1CS(=O)(=O)CC1C=C
InChIInChI=1S/C8H12O2S/c1-3-7-5-11(9,10)6-8(7)4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyNFYDEJRJLDEGCT-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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 3,4-bis(ethenyl)thiolane 1,1-dioxide?
The IUPAC name of 3,4-bis(ethenyl)thiolane 1,1-dioxide (CID 137373407) is 3,4-bis(ethenyl)thiolane 1,1-dioxide.
What is the SMILES notation for 3,4-bis(ethenyl)thiolane 1,1-dioxide?
The canonical SMILES for 3,4-bis(ethenyl)thiolane 1,1-dioxide is C=CC1CS(=O)(=O)CC1C=C.
What is the InChIKey of 3,4-bis(ethenyl)thiolane 1,1-dioxide?
The InChIKey is NFYDEJRJLDEGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-3-7-5-11(9,10)6-8(7)4-2/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 3,4-bis(ethenyl)thiolane 1,1-dioxide?
3,4-bis(ethenyl)thiolane 1,1-dioxide has a molecular weight of 172.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)thiolane 1,1-dioxide is sourced from PubChem (CID 137373407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).