SZINDZNWFLBXKV-UHFFFAOYSA-M

C₄H₉NaO₅S — CID 23665766

About SZINDZNWFLBXKV-UHFFFAOYSA-M

SZINDZNWFLBXKV-UHFFFAOYSA-M (PubChem CID 23665766) has the molecular formula C₄H₉NaO₅S and a molecular weight of 192.17 g/mol. Its IUPAC name is sodium 2-(2-hydroxyethoxy)ethanesulfonate.

Molecular Properties

• Compound Name: SZINDZNWFLBXKV-UHFFFAOYSA-M
• PubChem CID: 23665766
• Molecular Formula: C₄H₉NaO₅S
• Molecular Weight: 192.17 g/mol
• Exact Mass: 192.01
• IUPAC Name: sodium 2-(2-hydroxyethoxy)ethanesulfonate
• SMILES: O=S(=O)([O-])CCOCCO.[Na+]
• InChI: InChI=1S/C4H10O5S.Na/c5-1-2-9-3-4-10(6,7)8;/h5H,1-4H2,(H,6,7,8);/q;+1/p-1
• InChIKey: SZINDZNWFLBXKV-UHFFFAOYSA-M
• XLogP: -4.46
• TPSA: 86.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.17
LogP ≤ 5	-4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of SZINDZNWFLBXKV-UHFFFAOYSA-M?

The IUPAC name of SZINDZNWFLBXKV-UHFFFAOYSA-M (CID 23665766) is sodium 2-(2-hydroxyethoxy)ethanesulfonate.

What is the SMILES notation for SZINDZNWFLBXKV-UHFFFAOYSA-M?

The canonical SMILES for SZINDZNWFLBXKV-UHFFFAOYSA-M is O=S(=O)([O-])CCOCCO.[Na+].

What is the InChIKey of SZINDZNWFLBXKV-UHFFFAOYSA-M?

The InChIKey is SZINDZNWFLBXKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O5S.Na/c5-1-2-9-3-4-10(6,7)8;/h5H,1-4H2,(H,6,7,8);/q;+1/p-1.

What are the key properties of SZINDZNWFLBXKV-UHFFFAOYSA-M?

SZINDZNWFLBXKV-UHFFFAOYSA-M has a molecular weight of 192.17 g/mol, XLogP of -4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for SZINDZNWFLBXKV-UHFFFAOYSA-M is sourced from PubChem (CID 23665766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23665766 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.