[(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate

C14H14Cl2O4S2Sn — CID 16682859

IUPAC[(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate
SMILESC[Sn](C)(OS(=O)c1ccc(Cl)cc1)OS(=O)c1ccc(Cl)cc1
InChIInChI=1S/2C6H5ClO2S.2CH3.Sn/c2*7-5-1-3-6(4-2-5)10(8)9;;;/h2*1-4H,(H,8,9);2*1H3;/q;;;;+2/p-2
InChIKeyWDHNLVOKWRKWBB-UHFFFAOYSA-L
MW500.01 g/mol
LogP4.47
Rot. Bonds6

About [(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate

[(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate (PubChem CID 16682859) has the molecular formula C14H14Cl2O4S2Sn and a molecular weight of 500.01 g/mol. Its IUPAC name is [(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate.

Molecular Properties

Compound Name[(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate
PubChem CID16682859
Molecular FormulaC14H14Cl2O4S2Sn
Molecular Weight500.01 g/mol
Exact Mass499.87
IUPAC Name[(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate
SMILESC[Sn](C)(OS(=O)c1ccc(Cl)cc1)OS(=O)c1ccc(Cl)cc1
InChIInChI=1S/2C6H5ClO2S.2CH3.Sn/c2*7-5-1-3-6(4-2-5)10(8)9;;;/h2*1-4H,(H,8,9);2*1H3;/q;;;;+2/p-2
InChIKeyWDHNLVOKWRKWBB-UHFFFAOYSA-L
XLogP4.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.01
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate?
The IUPAC name of [(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate (CID 16682859) is [(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate.
What is the SMILES notation for [(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate?
The canonical SMILES for [(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate is C[Sn](C)(OS(=O)c1ccc(Cl)cc1)OS(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate?
The InChIKey is WDHNLVOKWRKWBB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5ClO2S.2CH3.Sn/c2*7-5-1-3-6(4-2-5)10(8)9;;;/h2*1-4H,(H,8,9);2*1H3;/q;;;;+2/p-2.
What are the key properties of [(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate?
[(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate has a molecular weight of 500.01 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)sulfinyloxy-dimethylstannyl] 4-chlorobenzenesulfinate is sourced from PubChem (CID 16682859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).