bicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride

C6H4Cl2O2S — CID 88527318

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride
SMILESO=S(=O)(Cl)Cl.c1cc2ccc1-2
InChIInChI=1S/C6H4.Cl2O2S/c1-2-6-4-3-5(1)6;1-5(2,3)4/h1-4H;
InChIKeyKOGJQYRRKOUNOF-UHFFFAOYSA-N
MW211.07 g/mol
LogP2.38
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride

bicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride (PubChem CID 88527318) has the molecular formula C6H4Cl2O2S and a molecular weight of 211.07 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride
PubChem CID88527318
Molecular FormulaC6H4Cl2O2S
Molecular Weight211.07 g/mol
Exact Mass209.93
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride
SMILESO=S(=O)(Cl)Cl.c1cc2ccc1-2
InChIInChI=1S/C6H4.Cl2O2S/c1-2-6-4-3-5(1)6;1-5(2,3)4/h1-4H;
InChIKeyKOGJQYRRKOUNOF-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 52.38
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;sulfuryl dichloride?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride (CID 88527318) is bicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride is O=S(=O)(Cl)Cl.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride?
The InChIKey is KOGJQYRRKOUNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.Cl2O2S/c1-2-6-4-3-5(1)6;1-5(2,3)4/h1-4H;.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride?
bicyclo[2.2.0]hexa-1,3,5-triene;sulfuryl dichloride has a molecular weight of 211.07 g/mol, XLogP of 2.38, 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;sulfuryl dichloride is sourced from PubChem (CID 88527318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).