ethoxy hydrogen sulfate

C2H6O5S — CID 18469854

IUPACethoxy hydrogen sulfate
SMILESCCOOS(=O)(=O)O
InChIInChI=1S/C2H6O5S/c1-2-6-7-8(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKeyUZABCLFSICXBCM-UHFFFAOYSA-N
MW142.13 g/mol
LogP-0.24
Rot. Bonds3

About ethoxy hydrogen sulfate

ethoxy hydrogen sulfate (PubChem CID 18469854) has the molecular formula C2H6O5S and a molecular weight of 142.13 g/mol. Its IUPAC name is ethoxy hydrogen sulfate.

Molecular Properties

Compound Nameethoxy hydrogen sulfate
PubChem CID18469854
Molecular FormulaC2H6O5S
Molecular Weight142.13 g/mol
Exact Mass141.99
IUPAC Nameethoxy hydrogen sulfate
SMILESCCOOS(=O)(=O)O
InChIInChI=1S/C2H6O5S/c1-2-6-7-8(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKeyUZABCLFSICXBCM-UHFFFAOYSA-N
XLogP-0.24
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Ethyl Sulfate
CID 6004
Sulfuric acid, monopropyl ester
CID 70469
Athylschwefelsauremonohydrat
CID 19910537
Carbon monoethoxy sulfate
CID 87240100
Sodium ethyl sulfate monohydrate
CID 25022159
1-Fluoroethyl hydrogen sulfate
CID 87625057
Calcium ethyl hydrogen sulfate
CID 21115059
Magnesium ethyl hydrogen sulfate
CID 21116015
Ethyl hydrogen sulfate;gadolinium(3+)
CID 139594489
Ethyl hydrogen sulfate;neodymium(3+)
CID 139594973
Ethyl hydrogen sulfate;nickel(2+)
CID 139595475
Cerium(3+);ethyl hydrogen sulfate
CID 139596928

Frequently Asked Questions

What is the IUPAC name of ethoxy hydrogen sulfate?
The IUPAC name of ethoxy hydrogen sulfate (CID 18469854) is ethoxy hydrogen sulfate.
What is the SMILES notation for ethoxy hydrogen sulfate?
The canonical SMILES for ethoxy hydrogen sulfate is CCOOS(=O)(=O)O.
What is the InChIKey of ethoxy hydrogen sulfate?
The InChIKey is UZABCLFSICXBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O5S/c1-2-6-7-8(3,4)5/h2H2,1H3,(H,3,4,5).
What are the key properties of ethoxy hydrogen sulfate?
ethoxy hydrogen sulfate has a molecular weight of 142.13 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy hydrogen sulfate is sourced from PubChem (CID 18469854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).