1,3-bis(ethenylsulfonyl)propane

C7H12O4S2 — CID 5072300

IUPAC1,3-bis(ethenylsulfonyl)propane
SMILESC=CS(=O)(=O)CCCS(=O)(=O)C=C
InChIInChI=1S/C7H12O4S2/c1-3-12(8,9)6-5-7-13(10,11)4-2/h3-4H,1-2,5-7H2
InChIKeyIJHAYXRIEZHHSC-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.49
Rot. Bonds6

About 1,3-bis(ethenylsulfonyl)propane

1,3-bis(ethenylsulfonyl)propane (PubChem CID 5072300) has the molecular formula C7H12O4S2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1,3-bis(ethenylsulfonyl)propane.

Molecular Properties

Compound Name1,3-bis(ethenylsulfonyl)propane
PubChem CID5072300
Molecular FormulaC7H12O4S2
Molecular Weight224.30 g/mol
Exact Mass224.02
IUPAC Name1,3-bis(ethenylsulfonyl)propane
SMILESC=CS(=O)(=O)CCCS(=O)(=O)C=C
InChIInChI=1S/C7H12O4S2/c1-3-12(8,9)6-5-7-13(10,11)4-2/h3-4H,1-2,5-7H2
InChIKeyIJHAYXRIEZHHSC-UHFFFAOYSA-N
XLogP0.49
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenylsulfonyl)propane?
The IUPAC name of 1,3-bis(ethenylsulfonyl)propane (CID 5072300) is 1,3-bis(ethenylsulfonyl)propane.
What is the SMILES notation for 1,3-bis(ethenylsulfonyl)propane?
The canonical SMILES for 1,3-bis(ethenylsulfonyl)propane is C=CS(=O)(=O)CCCS(=O)(=O)C=C.
What is the InChIKey of 1,3-bis(ethenylsulfonyl)propane?
The InChIKey is IJHAYXRIEZHHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S2/c1-3-12(8,9)6-5-7-13(10,11)4-2/h3-4H,1-2,5-7H2.
What are the key properties of 1,3-bis(ethenylsulfonyl)propane?
1,3-bis(ethenylsulfonyl)propane has a molecular weight of 224.30 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenylsulfonyl)propane is sourced from PubChem (CID 5072300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).