1,1'-biphenyl;thionyl dichloride

C12H10Cl2OS — CID 88653349

IUPAC1,1'-biphenyl;thionyl dichloride
SMILESO=S(Cl)Cl.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.Cl2OS/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h1-10H;
InChIKeyWWDKHALBHMQTJU-UHFFFAOYSA-N
MW273.18 g/mol
LogP4.40
Rot. Bonds1

About 1,1'-biphenyl;thionyl dichloride

1,1'-biphenyl;thionyl dichloride (PubChem CID 88653349) has the molecular formula C12H10Cl2OS and a molecular weight of 273.18 g/mol. Its IUPAC name is 1,1'-biphenyl;thionyl dichloride.

Molecular Properties

Compound Name1,1'-biphenyl;thionyl dichloride
PubChem CID88653349
Molecular FormulaC12H10Cl2OS
Molecular Weight273.18 g/mol
Exact Mass271.98
IUPAC Name1,1'-biphenyl;thionyl dichloride
SMILESO=S(Cl)Cl.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.Cl2OS/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h1-10H;
InChIKeyWWDKHALBHMQTJU-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1'-biphenyl;thionyl dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 90073553
CID 90073553
beryllium;1,1'-biphenyl;hydride
CID 173156439
benzene;thionyl dichloride
CID 18188255
benzene;tris(1,1'-biphenyl)
CID 162155747
CID 53446764
CID 53446764
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
bis(1,1'-biphenyl);sulfane
CID 22247507
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

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;thionyl dichloride?
The IUPAC name of 1,1'-biphenyl;thionyl dichloride (CID 88653349) is 1,1'-biphenyl;thionyl dichloride.
What is the SMILES notation for 1,1'-biphenyl;thionyl dichloride?
The canonical SMILES for 1,1'-biphenyl;thionyl dichloride is O=S(Cl)Cl.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;thionyl dichloride?
The InChIKey is WWDKHALBHMQTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.Cl2OS/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h1-10H;.
What are the key properties of 1,1'-biphenyl;thionyl dichloride?
1,1'-biphenyl;thionyl dichloride has a molecular weight of 273.18 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;thionyl dichloride is sourced from PubChem (CID 88653349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).