bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide

C6H4O2S — CID 22101690

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide
SMILESO=S=O.c1cc2ccc1-2
InChIInChI=1S/C6H4.O2S/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;
InChIKeyHOFQTOFACQJMGL-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.00
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide

bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide (PubChem CID 22101690) has the molecular formula C6H4O2S and a molecular weight of 140.16 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide
PubChem CID22101690
Molecular FormulaC6H4O2S
Molecular Weight140.16 g/mol
Exact Mass139.99
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide
SMILESO=S=O.c1cc2ccc1-2
InChIInChI=1S/C6H4.O2S/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;
InChIKeyHOFQTOFACQJMGL-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 ≤ 500140.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide (CID 22101690) is bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide is O=S=O.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide?
The InChIKey is HOFQTOFACQJMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.O2S/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide?
bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide has a molecular weight of 140.16 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 bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide is sourced from PubChem (CID 22101690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).