CID 172760571

C2H4NaO5S — CID 172760571

IUPAC—
SMILESO=S1(=O)OCCOO1.[Na]
InChIInChI=1S/C2H4O5S.Na/c3-8(4)6-2-1-5-7-8;/h1-2H2;
InChIKeyLPYLJXQDKRNSLF-UHFFFAOYSA-N
MW163.11 g/mol
LogP-1.17
Rot. Bonds

About CID 172760571

CID 172760571 (PubChem CID 172760571) has the molecular formula C2H4NaO5S and a molecular weight of 163.11 g/mol.

Molecular Properties

Compound NameCID 172760571
PubChem CID172760571
Molecular FormulaC2H4NaO5S
Molecular Weight163.11 g/mol
Exact Mass162.97
IUPAC Name—
SMILESO=S1(=O)OCCOO1.[Na]
InChIInChI=1S/C2H4O5S.Na/c3-8(4)6-2-1-5-7-8;/h1-2H2;
InChIKeyLPYLJXQDKRNSLF-UHFFFAOYSA-N
XLogP-1.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.11
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 172760571?
The IUPAC name of CID 172760571 (CID 172760571) is not available.
What is the SMILES notation for CID 172760571?
The canonical SMILES for CID 172760571 is O=S1(=O)OCCOO1.[Na].
What is the InChIKey of CID 172760571?
The InChIKey is LPYLJXQDKRNSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O5S.Na/c3-8(4)6-2-1-5-7-8;/h1-2H2;.
What are the key properties of CID 172760571?
CID 172760571 has a molecular weight of 163.11 g/mol, XLogP of -1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172760571 is sourced from PubChem (CID 172760571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).