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

C6H6S — CID 67528957

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;sulfane
SMILESS.c1cc2ccc1-2
InChIInChI=1S/C6H4.H2S/c1-2-6-4-3-5(1)6;/h1-4H;1H2
InChIKeyXWJCOIHDPFPFNQ-UHFFFAOYSA-N
MW110.18 g/mol
LogP1.78
Rot. Bonds

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

bicyclo[2.2.0]hexa-1,3,5-triene;sulfane (PubChem CID 67528957) has the molecular formula C6H6S and a molecular weight of 110.18 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;sulfane.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfane
PubChem CID67528957
Molecular FormulaC6H6S
Molecular Weight110.18 g/mol
Exact Mass110.02
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfane
SMILESS.c1cc2ccc1-2
InChIInChI=1S/C6H4.H2S/c1-2-6-4-3-5(1)6;/h1-4H;1H2
InChIKeyXWJCOIHDPFPFNQ-UHFFFAOYSA-N
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;sulfane?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;sulfane (CID 67528957) is bicyclo[2.2.0]hexa-1,3,5-triene;sulfane.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;sulfane?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;sulfane is S.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;sulfane?
The InChIKey is XWJCOIHDPFPFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.H2S/c1-2-6-4-3-5(1)6;/h1-4H;1H2.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;sulfane?
bicyclo[2.2.0]hexa-1,3,5-triene;sulfane has a molecular weight of 110.18 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;sulfane is sourced from PubChem (CID 67528957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).