bis(1,1'-biphenyl);sulfane

C24H22S — CID 22247507

IUPACbis(1,1'-biphenyl);sulfane
SMILESS.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H10.H2S/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h2*1-10H;1H2
InChIKeyZLQCVPRCLBHXBE-UHFFFAOYSA-N
MW342.51 g/mol
LogP6.82
Rot. Bonds2

About bis(1,1'-biphenyl);sulfane

bis(1,1'-biphenyl);sulfane (PubChem CID 22247507) has the molecular formula C24H22S and a molecular weight of 342.51 g/mol. Its IUPAC name is bis(1,1'-biphenyl);sulfane.

Molecular Properties

Compound Namebis(1,1'-biphenyl);sulfane
PubChem CID22247507
Molecular FormulaC24H22S
Molecular Weight342.51 g/mol
Exact Mass342.14
IUPAC Namebis(1,1'-biphenyl);sulfane
SMILESS.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H10.H2S/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h2*1-10H;1H2
InChIKeyZLQCVPRCLBHXBE-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
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CID 53446764
CID 53446764
1,1'-biphenyl;indigane
CID 174363765
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;hydroiodide
CID 66586334
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
CID 162140615
CID 162140615
beryllium;1,1'-biphenyl;hydride
CID 173156439
1,1'-biphenyl;molecular hydrogen
CID 173033571
benzene;1,1'-biphenyl;ethane
CID 158550617

Frequently Asked Questions

What is the IUPAC name of bis(1,1'-biphenyl);sulfane?
The IUPAC name of bis(1,1'-biphenyl);sulfane (CID 22247507) is bis(1,1'-biphenyl);sulfane.
What is the SMILES notation for bis(1,1'-biphenyl);sulfane?
The canonical SMILES for bis(1,1'-biphenyl);sulfane is S.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of bis(1,1'-biphenyl);sulfane?
The InChIKey is ZLQCVPRCLBHXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10.H2S/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h2*1-10H;1H2.
What are the key properties of bis(1,1'-biphenyl);sulfane?
bis(1,1'-biphenyl);sulfane has a molecular weight of 342.51 g/mol, XLogP of 6.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1'-biphenyl);sulfane is sourced from PubChem (CID 22247507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).