sodium 5-bromo-4-chlorothiophene-2-sulfinate

C4HBrClNaO2S2 — CID 130907566

IUPACsodium 5-bromo-4-chlorothiophene-2-sulfinate
SMILESO=S([O-])c1cc(Cl)c(Br)s1.[Na+]
InChIInChI=1S/C4H2BrClO2S2.Na/c5-4-2(6)1-3(9-4)10(7)8;/h1H,(H,7,8);/q;+1/p-1
InChIKeyCDGKNDYRMCZXOR-UHFFFAOYSA-M
MW283.53 g/mol
LogP-0.59
Rot. Bonds1

About sodium 5-bromo-4-chlorothiophene-2-sulfinate

sodium 5-bromo-4-chlorothiophene-2-sulfinate (PubChem CID 130907566) has the molecular formula C4HBrClNaO2S2 and a molecular weight of 283.53 g/mol. Its IUPAC name is sodium 5-bromo-4-chlorothiophene-2-sulfinate.

Molecular Properties

Compound Namesodium 5-bromo-4-chlorothiophene-2-sulfinate
PubChem CID130907566
Molecular FormulaC4HBrClNaO2S2
Molecular Weight283.53 g/mol
Exact Mass281.82
IUPAC Namesodium 5-bromo-4-chlorothiophene-2-sulfinate
SMILESO=S([O-])c1cc(Cl)c(Br)s1.[Na+]
InChIInChI=1S/C4H2BrClO2S2.Na/c5-4-2(6)1-3(9-4)10(7)8;/h1H,(H,7,8);/q;+1/p-1
InChIKeyCDGKNDYRMCZXOR-UHFFFAOYSA-M
XLogP-0.59
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.53
LogP ≤ 5-0.59
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-bromo-4-chlorothiophene-2-sulfinate?
The IUPAC name of sodium 5-bromo-4-chlorothiophene-2-sulfinate (CID 130907566) is sodium 5-bromo-4-chlorothiophene-2-sulfinate.
What is the SMILES notation for sodium 5-bromo-4-chlorothiophene-2-sulfinate?
The canonical SMILES for sodium 5-bromo-4-chlorothiophene-2-sulfinate is O=S([O-])c1cc(Cl)c(Br)s1.[Na+].
What is the InChIKey of sodium 5-bromo-4-chlorothiophene-2-sulfinate?
The InChIKey is CDGKNDYRMCZXOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2BrClO2S2.Na/c5-4-2(6)1-3(9-4)10(7)8;/h1H,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 5-bromo-4-chlorothiophene-2-sulfinate?
sodium 5-bromo-4-chlorothiophene-2-sulfinate has a molecular weight of 283.53 g/mol, XLogP of -0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-bromo-4-chlorothiophene-2-sulfinate is sourced from PubChem (CID 130907566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).