chloro ethyl sulfate

C2H5ClO4S — CID 14249990

IUPACchloro ethyl sulfate
SMILESCCOS(=O)(=O)OCl
InChIInChI=1S/C2H5ClO4S/c1-2-6-8(4,5)7-3/h2H2,1H3
InChIKeyCBRFFESHPYKDBU-UHFFFAOYSA-N
MW160.58 g/mol
LogP0.44
Rot. Bonds3

About chloro ethyl sulfate

chloro ethyl sulfate (PubChem CID 14249990) has the molecular formula C2H5ClO4S and a molecular weight of 160.58 g/mol. Its IUPAC name is chloro ethyl sulfate.

Molecular Properties

Compound Namechloro ethyl sulfate
PubChem CID14249990
Molecular FormulaC2H5ClO4S
Molecular Weight160.58 g/mol
Exact Mass159.96
IUPAC Namechloro ethyl sulfate
SMILESCCOS(=O)(=O)OCl
InChIInChI=1S/C2H5ClO4S/c1-2-6-8(4,5)7-3/h2H2,1H3
InChIKeyCBRFFESHPYKDBU-UHFFFAOYSA-N
XLogP0.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfuric acid, monoethyl ester, potassium salt (1:1)
CID 23680282
Chlorosulfuric acid, ethyl ester
CID 69359
Chlorosulfurous acid, ethyl ester
CID 80784
Sulfuric acid, ethyl methyl ester
CID 69945
Sodium ethyl sulfate
CID 23680278
Ethyl sulfate anion
CID 3804841
Sodium;1,1,2,2,2-pentadeuterioethyl sulfate
CID 46782931
Ethyl sulfate;hydron
CID 57448826
Ethyl fluosulfate
CID 88599587
Chlorosulfuric acid, propyl ester
CID 69960
Aethylschwefelsaures Silber
CID 89926795
Propio-sulfate
CID 129717899

Frequently Asked Questions

What is the IUPAC name of chloro ethyl sulfate?
The IUPAC name of chloro ethyl sulfate (CID 14249990) is chloro ethyl sulfate.
What is the SMILES notation for chloro ethyl sulfate?
The canonical SMILES for chloro ethyl sulfate is CCOS(=O)(=O)OCl.
What is the InChIKey of chloro ethyl sulfate?
The InChIKey is CBRFFESHPYKDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO4S/c1-2-6-8(4,5)7-3/h2H2,1H3.
What are the key properties of chloro ethyl sulfate?
chloro ethyl sulfate has a molecular weight of 160.58 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro ethyl sulfate is sourced from PubChem (CID 14249990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).