benzenesulfinic acid;copper

C12H12CuO4S2 — CID 131882722

IUPACbenzenesulfinic acid;copper
SMILESO=S(O)c1ccccc1.O=S(O)c1ccccc1.[Cu]
InChIInChI=1S/2C6H6O2S.Cu/c2*7-9(8)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8);
InChIKeyWOSNYHMMLDJHGQ-UHFFFAOYSA-N
MW347.90 g/mol
LogP2.53
Rot. Bonds2

About benzenesulfinic acid;copper

benzenesulfinic acid;copper (PubChem CID 131882722) has the molecular formula C12H12CuO4S2 and a molecular weight of 347.90 g/mol. Its IUPAC name is benzenesulfinic acid;copper.

Molecular Properties

Compound Namebenzenesulfinic acid;copper
PubChem CID131882722
Molecular FormulaC12H12CuO4S2
Molecular Weight347.90 g/mol
Exact Mass346.95
IUPAC Namebenzenesulfinic acid;copper
SMILESO=S(O)c1ccccc1.O=S(O)c1ccccc1.[Cu]
InChIInChI=1S/2C6H6O2S.Cu/c2*7-9(8)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8);
InChIKeyWOSNYHMMLDJHGQ-UHFFFAOYSA-N
XLogP2.53
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.90
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;benzenesulfinic acid;hydride
CID 173027233
sodium;benzenesulfinic acid;fluoride
CID 174567476
CID 66692277
CID 66692277
benzenesulfinic acid;morpholine
CID 131853845
4-diphenylphosphanylbenzenesulfinic acid
CID 164930130
4-(N-phenylanilino)benzenesulfinic acid
CID 134528275
4-(4-sulfinophenyl)benzoic acid
CID 66915219
benzene-1,2-disulfinic acid
CID 19813698
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
benzoic acid;sulfurous acid
CID 67918797
4-methylbenzenesulfinic acid;phenylhydrazine
CID 121004211
sodium 4-iodobenzenesulfinic acid
CID 22678005

Frequently Asked Questions

What is the IUPAC name of benzenesulfinic acid;copper?
The IUPAC name of benzenesulfinic acid;copper (CID 131882722) is benzenesulfinic acid;copper.
What is the SMILES notation for benzenesulfinic acid;copper?
The canonical SMILES for benzenesulfinic acid;copper is O=S(O)c1ccccc1.O=S(O)c1ccccc1.[Cu].
What is the InChIKey of benzenesulfinic acid;copper?
The InChIKey is WOSNYHMMLDJHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O2S.Cu/c2*7-9(8)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8);.
What are the key properties of benzenesulfinic acid;copper?
benzenesulfinic acid;copper has a molecular weight of 347.90 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfinic acid;copper is sourced from PubChem (CID 131882722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).