sodium 2-chloroethanesulfinate

C2H4ClNaO2S — CID 44891173

IUPACsodium 2-chloroethanesulfinate
SMILESO=S([O-])CCCl.[Na+]
InChIInChI=1S/C2H5ClO2S.Na/c3-1-2-6(4)5;/h1-2H2,(H,4,5);/q;+1/p-1
InChIKeyMZXNLGKKMURPNV-UHFFFAOYSA-M
MW150.56 g/mol
LogP-2.89
Rot. Bonds2

About sodium 2-chloroethanesulfinate

sodium 2-chloroethanesulfinate (PubChem CID 44891173) has the molecular formula C2H4ClNaO2S and a molecular weight of 150.56 g/mol. Its IUPAC name is sodium 2-chloroethanesulfinate.

Molecular Properties

Compound Namesodium 2-chloroethanesulfinate
PubChem CID44891173
Molecular FormulaC2H4ClNaO2S
Molecular Weight150.56 g/mol
Exact Mass149.95
IUPAC Namesodium 2-chloroethanesulfinate
SMILESO=S([O-])CCCl.[Na+]
InChIInChI=1S/C2H5ClO2S.Na/c3-1-2-6(4)5;/h1-2H2,(H,4,5);/q;+1/p-1
InChIKeyMZXNLGKKMURPNV-UHFFFAOYSA-M
XLogP-2.89
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 5-2.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-chloroethanesulfinate?
The IUPAC name of sodium 2-chloroethanesulfinate (CID 44891173) is sodium 2-chloroethanesulfinate.
What is the SMILES notation for sodium 2-chloroethanesulfinate?
The canonical SMILES for sodium 2-chloroethanesulfinate is O=S([O-])CCCl.[Na+].
What is the InChIKey of sodium 2-chloroethanesulfinate?
The InChIKey is MZXNLGKKMURPNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5ClO2S.Na/c3-1-2-6(4)5;/h1-2H2,(H,4,5);/q;+1/p-1.
What are the key properties of sodium 2-chloroethanesulfinate?
sodium 2-chloroethanesulfinate has a molecular weight of 150.56 g/mol, XLogP of -2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-chloroethanesulfinate is sourced from PubChem (CID 44891173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).