ethyl propyl sulfate;hydrochloride

C5H13ClO4S — CID 175489043

IUPACethyl propyl sulfate;hydrochloride
SMILESCCCOS(=O)(=O)OCC.Cl
InChIInChI=1S/C5H12O4S.ClH/c1-3-5-9-10(6,7)8-4-2;/h3-5H2,1-2H3;1H
InChIKeyZUYNRLZVDRJDRZ-UHFFFAOYSA-N
MW204.67 g/mol
LogP1.12
Rot. Bonds5

About ethyl propyl sulfate;hydrochloride

ethyl propyl sulfate;hydrochloride (PubChem CID 175489043) has the molecular formula C5H13ClO4S and a molecular weight of 204.67 g/mol. Its IUPAC name is ethyl propyl sulfate;hydrochloride.

Molecular Properties

Compound Nameethyl propyl sulfate;hydrochloride
PubChem CID175489043
Molecular FormulaC5H13ClO4S
Molecular Weight204.67 g/mol
Exact Mass204.02
IUPAC Nameethyl propyl sulfate;hydrochloride
SMILESCCCOS(=O)(=O)OCC.Cl
InChIInChI=1S/C5H12O4S.ClH/c1-3-5-9-10(6,7)8-4-2;/h3-5H2,1-2H3;1H
InChIKeyZUYNRLZVDRJDRZ-UHFFFAOYSA-N
XLogP1.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.67
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 159839688
CID 159839688
ethyl octyl sulfate
CID 22483719
1-ethoxysulfonylsulfonyloxypropane
CID 90767531
2-fluoroethyl propyl sulfate
CID 166171774
diethyl sulfate;iodoethane
CID 157176238
diethyl sulfate;sulfuric acid
CID 158458335
dimethylamino propyl sulfate
CID 165093192
propoxysulfonyloxysulfonyl ethanesulfonate
CID 150088008
pentan-3-yl propyl sulfate
CID 174914441
ditetracosyl sulfate
CID 101286725
pentyl undecyl sulfate
CID 174900896
ethyl fluoro sulfate
CID 88599587

Frequently Asked Questions

What is the IUPAC name of ethyl propyl sulfate;hydrochloride?
The IUPAC name of ethyl propyl sulfate;hydrochloride (CID 175489043) is ethyl propyl sulfate;hydrochloride.
What is the SMILES notation for ethyl propyl sulfate;hydrochloride?
The canonical SMILES for ethyl propyl sulfate;hydrochloride is CCCOS(=O)(=O)OCC.Cl.
What is the InChIKey of ethyl propyl sulfate;hydrochloride?
The InChIKey is ZUYNRLZVDRJDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4S.ClH/c1-3-5-9-10(6,7)8-4-2;/h3-5H2,1-2H3;1H.
What are the key properties of ethyl propyl sulfate;hydrochloride?
ethyl propyl sulfate;hydrochloride has a molecular weight of 204.67 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propyl sulfate;hydrochloride is sourced from PubChem (CID 175489043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).