dicopper sulfidoformate

C2Cu2O4S2 — CID 173380893

IUPACdicopper sulfidoformate
SMILESO=C([O-])[S-].O=C([O-])[S-].[Cu+2].[Cu+2]
InChIInChI=1S/2CH2O2S.2Cu/c2*2-1(3)4;;/h2*4H,(H,2,3);;/q;;2*+2/p-4
InChIKeyNVJMFZMDLJWMBG-UHFFFAOYSA-J
MW279.24 g/mol
LogP-2.25
Rot. Bonds

About dicopper sulfidoformate

dicopper sulfidoformate (PubChem CID 173380893) has the molecular formula C2Cu2O4S2 and a molecular weight of 279.24 g/mol. Its IUPAC name is dicopper sulfidoformate.

Molecular Properties

Compound Namedicopper sulfidoformate
PubChem CID173380893
Molecular FormulaC2Cu2O4S2
Molecular Weight279.24 g/mol
Exact Mass277.78
IUPAC Namedicopper sulfidoformate
SMILESO=C([O-])[S-].O=C([O-])[S-].[Cu+2].[Cu+2]
InChIInChI=1S/2CH2O2S.2Cu/c2*2-1(3)4;;/h2*4H,(H,2,3);;/q;;2*+2/p-4
InChIKeyNVJMFZMDLJWMBG-UHFFFAOYSA-J
XLogP-2.25
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 5-2.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

dilithium;sulfidoformate
CID 22336321
dizinc sulfidoformate
CID 21464809
bismuth;copper;carbonate
CID 159090510
dipotassium;oxocopper;carbonate
CID 172770959
CID 71345932
CID 71345932
diazanium;dicopper;bis(zirconium(4+));heptacarbonate
CID 173215950
bis(rhodium(3+));tricarbonate
CID 71471414
plutonium dicarbonate
CID 22099017
hexadecasodium;octacarbonate
CID 141056250
bis(gold(3+));tricarbonate
CID 56847861
copper;potassium;carbonate;hydroxide;hydrate
CID 71374051
copper;oxalate;oxocopper
CID 157143920

Frequently Asked Questions

What is the IUPAC name of dicopper sulfidoformate?
The IUPAC name of dicopper sulfidoformate (CID 173380893) is dicopper sulfidoformate.
What is the SMILES notation for dicopper sulfidoformate?
The canonical SMILES for dicopper sulfidoformate is O=C([O-])[S-].O=C([O-])[S-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper sulfidoformate?
The InChIKey is NVJMFZMDLJWMBG-UHFFFAOYSA-J. The full InChI is InChI=1S/2CH2O2S.2Cu/c2*2-1(3)4;;/h2*4H,(H,2,3);;/q;;2*+2/p-4.
What are the key properties of dicopper sulfidoformate?
dicopper sulfidoformate has a molecular weight of 279.24 g/mol, XLogP of -2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper sulfidoformate is sourced from PubChem (CID 173380893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).