CID 162169073

C4H10NaO5S — CID 162169073

IUPAC—
SMILESCCS(=O)(=O)OOCCO.[Na]
InChIInChI=1S/C4H10O5S.Na/c1-2-10(6,7)9-8-4-3-5;/h5H,2-4H2,1H3;
InChIKeyZNNQQNHKXYXBJV-UHFFFAOYSA-N
MW193.18 g/mol
LogP-1.10
Rot. Bonds5

About CID 162169073

CID 162169073 (PubChem CID 162169073) has the molecular formula C4H10NaO5S and a molecular weight of 193.18 g/mol.

Molecular Properties

Compound NameCID 162169073
PubChem CID162169073
Molecular FormulaC4H10NaO5S
Molecular Weight193.18 g/mol
Exact Mass193.01
IUPAC Name—
SMILESCCS(=O)(=O)OOCCO.[Na]
InChIInChI=1S/C4H10O5S.Na/c1-2-10(6,7)9-8-4-3-5;/h5H,2-4H2,1H3;
InChIKeyZNNQQNHKXYXBJV-UHFFFAOYSA-N
XLogP-1.10
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate
CID 23194496
ethoxy ethanesulfonate
CID 87989900
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-(2-hydroxyethylperoxy)ethanol;methoxymethane
CID 174905336
propoxysulfonyloxysulfonyl ethanesulfonate
CID 150088008
2-ethoxyethanol;sulfuric acid
CID 87749123
2-(2-hydroxyethoxy)ethyl butane-1-sulfonate
CID 154161522
butan-1-ol;2-(2-hydroxyethylperoxy)ethanol
CID 174670759
2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol
CID 58517140
amino 2-hydroxyethoxymethanesulfonate
CID 21129066
methanesulfonic acid;2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethanol
CID 71342368
sodium;hydride;2-(2-hydroxyethylperoxy)ethanol
CID 174491378

Frequently Asked Questions

What is the IUPAC name of CID 162169073?
The IUPAC name of CID 162169073 (CID 162169073) is not available.
What is the SMILES notation for CID 162169073?
The canonical SMILES for CID 162169073 is CCS(=O)(=O)OOCCO.[Na].
What is the InChIKey of CID 162169073?
The InChIKey is ZNNQQNHKXYXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O5S.Na/c1-2-10(6,7)9-8-4-3-5;/h5H,2-4H2,1H3;.
What are the key properties of CID 162169073?
CID 162169073 has a molecular weight of 193.18 g/mol, XLogP of -1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162169073 is sourced from PubChem (CID 162169073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).