1,1'-biphenyl;sulfur dioxide;thiophene

C16H14O2S2 — CID 174331711

IUPAC1,1'-biphenyl;sulfur dioxide;thiophene
SMILESO=S=O.c1ccc(-c2ccccc2)cc1.c1ccsc1
InChIInChI=1S/C12H10.C4H4S.O2S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-5-3-1;1-3-2/h1-10H;1-4H;
InChIKeyZQFYPDYEEQGPQH-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.43
Rot. Bonds1

About 1,1'-biphenyl;sulfur dioxide;thiophene

1,1'-biphenyl;sulfur dioxide;thiophene (PubChem CID 174331711) has the molecular formula C16H14O2S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1,1'-biphenyl;sulfur dioxide;thiophene.

Molecular Properties

Compound Name1,1'-biphenyl;sulfur dioxide;thiophene
PubChem CID174331711
Molecular FormulaC16H14O2S2
Molecular Weight302.42 g/mol
Exact Mass302.04
IUPAC Name1,1'-biphenyl;sulfur dioxide;thiophene
SMILESO=S=O.c1ccc(-c2ccccc2)cc1.c1ccsc1
InChIInChI=1S/C12H10.C4H4S.O2S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-5-3-1;1-3-2/h1-10H;1-4H;
InChIKeyZQFYPDYEEQGPQH-UHFFFAOYSA-N
XLogP4.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1'-biphenyl;furan;naphthalene;thiophene
CID 174915237
benzene;tris(1,1'-biphenyl)
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CID 69418942
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
bis(1,1'-biphenyl);sulfane
CID 22247507
CID 53446764
CID 53446764
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;indigane
CID 174363765
1,1'-biphenyl;hydroiodide
CID 66586334
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
CID 162140615
CID 162140615

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;sulfur dioxide;thiophene?
The IUPAC name of 1,1'-biphenyl;sulfur dioxide;thiophene (CID 174331711) is 1,1'-biphenyl;sulfur dioxide;thiophene.
What is the SMILES notation for 1,1'-biphenyl;sulfur dioxide;thiophene?
The canonical SMILES for 1,1'-biphenyl;sulfur dioxide;thiophene is O=S=O.c1ccc(-c2ccccc2)cc1.c1ccsc1.
What is the InChIKey of 1,1'-biphenyl;sulfur dioxide;thiophene?
The InChIKey is ZQFYPDYEEQGPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H4S.O2S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-5-3-1;1-3-2/h1-10H;1-4H;.
What are the key properties of 1,1'-biphenyl;sulfur dioxide;thiophene?
1,1'-biphenyl;sulfur dioxide;thiophene has a molecular weight of 302.42 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;sulfur dioxide;thiophene is sourced from PubChem (CID 174331711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).