bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide

C7H4O3S — CID 175118344

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide
SMILESO=Cc1c2cccc1-2.O=S=O
InChIInChI=1S/C7H4O.O2S/c8-4-7-5-2-1-3-6(5)7;1-3-2/h1-4H;
InChIKeyVGOSDPTWQBEUSC-UHFFFAOYSA-N
MW168.17 g/mol
LogP0.81
Rot. Bonds1

About bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide

bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide (PubChem CID 175118344) has the molecular formula C7H4O3S and a molecular weight of 168.17 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide
PubChem CID175118344
Molecular FormulaC7H4O3S
Molecular Weight168.17 g/mol
Exact Mass167.99
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide
SMILESO=Cc1c2cccc1-2.O=S=O
InChIInChI=1S/C7H4O.O2S/c8-4-7-5-2-1-3-6(5)7;1-3-2/h1-4H;
InChIKeyVGOSDPTWQBEUSC-UHFFFAOYSA-N
XLogP0.81
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide (CID 175118344) is bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide is O=Cc1c2cccc1-2.O=S=O.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide?
The InChIKey is VGOSDPTWQBEUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4O.O2S/c8-4-7-5-2-1-3-6(5)7;1-3-2/h1-4H;.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide?
bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide has a molecular weight of 168.17 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene-6-carbaldehyde;sulfur dioxide is sourced from PubChem (CID 175118344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).