diethyl (E)-1,2-dichloroethene-1,2-disulfinate

C6H10Cl2O4S2 — CID 102528912

IUPACdiethyl (E)-1,2-dichloroethene-1,2-disulfinate
SMILESCCOS(=O)/C(Cl)=C(\Cl)S(=O)OCC
InChIInChI=1S/C6H10Cl2O4S2/c1-3-11-13(9)5(7)6(8)14(10)12-4-2/h3-4H2,1-2H3/b6-5+
InChIKeyZFQHZDASUSUGES-AATRIKPKSA-N
MW281.18 g/mol
LogP1.99
Rot. Bonds6

About diethyl (E)-1,2-dichloroethene-1,2-disulfinate

diethyl (E)-1,2-dichloroethene-1,2-disulfinate (PubChem CID 102528912) has the molecular formula C6H10Cl2O4S2 and a molecular weight of 281.18 g/mol. Its IUPAC name is diethyl (E)-1,2-dichloroethene-1,2-disulfinate.

Molecular Properties

Compound Namediethyl (E)-1,2-dichloroethene-1,2-disulfinate
PubChem CID102528912
Molecular FormulaC6H10Cl2O4S2
Molecular Weight281.18 g/mol
Exact Mass279.94
IUPAC Namediethyl (E)-1,2-dichloroethene-1,2-disulfinate
SMILESCCOS(=O)/C(Cl)=C(\Cl)S(=O)OCC
InChIInChI=1S/C6H10Cl2O4S2/c1-3-11-13(9)5(7)6(8)14(10)12-4-2/h3-4H2,1-2H3/b6-5+
InChIKeyZFQHZDASUSUGES-AATRIKPKSA-N
XLogP1.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl (E)-1,2-dichloroethene-1,2-disulfinate?
The IUPAC name of diethyl (E)-1,2-dichloroethene-1,2-disulfinate (CID 102528912) is diethyl (E)-1,2-dichloroethene-1,2-disulfinate.
What is the SMILES notation for diethyl (E)-1,2-dichloroethene-1,2-disulfinate?
The canonical SMILES for diethyl (E)-1,2-dichloroethene-1,2-disulfinate is CCOS(=O)/C(Cl)=C(\Cl)S(=O)OCC.
What is the InChIKey of diethyl (E)-1,2-dichloroethene-1,2-disulfinate?
The InChIKey is ZFQHZDASUSUGES-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10Cl2O4S2/c1-3-11-13(9)5(7)6(8)14(10)12-4-2/h3-4H2,1-2H3/b6-5+.
What are the key properties of diethyl (E)-1,2-dichloroethene-1,2-disulfinate?
diethyl (E)-1,2-dichloroethene-1,2-disulfinate has a molecular weight of 281.18 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (E)-1,2-dichloroethene-1,2-disulfinate is sourced from PubChem (CID 102528912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).