sodium 5-chlorothiophene-2-sulfinate

C4H2ClNaO2S2 — CID 23682315

IUPACsodium 5-chlorothiophene-2-sulfinate
SMILESO=S([O-])c1ccc(Cl)s1.[Na+]
InChIInChI=1S/C4H3ClO2S2.Na/c5-3-1-2-4(8-3)9(6)7;/h1-2H,(H,6,7);/q;+1/p-1
InChIKeyURPDPPVDDGHRPQ-UHFFFAOYSA-M
MW204.64 g/mol
LogP-1.36
Rot. Bonds1

About sodium 5-chlorothiophene-2-sulfinate

sodium 5-chlorothiophene-2-sulfinate (PubChem CID 23682315) has the molecular formula C4H2ClNaO2S2 and a molecular weight of 204.64 g/mol. Its IUPAC name is sodium 5-chlorothiophene-2-sulfinate.

Molecular Properties

Compound Namesodium 5-chlorothiophene-2-sulfinate
PubChem CID23682315
Molecular FormulaC4H2ClNaO2S2
Molecular Weight204.64 g/mol
Exact Mass203.91
IUPAC Namesodium 5-chlorothiophene-2-sulfinate
SMILESO=S([O-])c1ccc(Cl)s1.[Na+]
InChIInChI=1S/C4H3ClO2S2.Na/c5-3-1-2-4(8-3)9(6)7;/h1-2H,(H,6,7);/q;+1/p-1
InChIKeyURPDPPVDDGHRPQ-UHFFFAOYSA-M
XLogP-1.36
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.64
LogP ≤ 5-1.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 5-chlorothiophene-2-sulfinate?
The IUPAC name of sodium 5-chlorothiophene-2-sulfinate (CID 23682315) is sodium 5-chlorothiophene-2-sulfinate.
What is the SMILES notation for sodium 5-chlorothiophene-2-sulfinate?
The canonical SMILES for sodium 5-chlorothiophene-2-sulfinate is O=S([O-])c1ccc(Cl)s1.[Na+].
What is the InChIKey of sodium 5-chlorothiophene-2-sulfinate?
The InChIKey is URPDPPVDDGHRPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3ClO2S2.Na/c5-3-1-2-4(8-3)9(6)7;/h1-2H,(H,6,7);/q;+1/p-1.
What are the key properties of sodium 5-chlorothiophene-2-sulfinate?
sodium 5-chlorothiophene-2-sulfinate has a molecular weight of 204.64 g/mol, XLogP of -1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-chlorothiophene-2-sulfinate is sourced from PubChem (CID 23682315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).