(carboxytetrasulfanyl)formic acid

C2H2O4S4 — CID 87491014

IUPAC(carboxytetrasulfanyl)formic acid
SMILESO=C(O)SSSSC(=O)O
InChIInChI=1S/C2H2O4S4/c3-1(4)7-9-10-8-2(5)6/h(H,3,4)(H,5,6)
InChIKeyZYZVXOBTRKPBMB-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.02
Rot. Bonds3

About (carboxytetrasulfanyl)formic acid

(carboxytetrasulfanyl)formic acid (PubChem CID 87491014) has the molecular formula C2H2O4S4 and a molecular weight of 218.30 g/mol. Its IUPAC name is (carboxytetrasulfanyl)formic acid.

Molecular Properties

Compound Name(carboxytetrasulfanyl)formic acid
PubChem CID87491014
Molecular FormulaC2H2O4S4
Molecular Weight218.30 g/mol
Exact Mass217.88
IUPAC Name(carboxytetrasulfanyl)formic acid
SMILESO=C(O)SSSSC(=O)O
InChIInChI=1S/C2H2O4S4/c3-1(4)7-9-10-8-2(5)6/h(H,3,4)(H,5,6)
InChIKeyZYZVXOBTRKPBMB-UHFFFAOYSA-N
XLogP3.02
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (carboxytetrasulfanyl)formic acid?
The IUPAC name of (carboxytetrasulfanyl)formic acid (CID 87491014) is (carboxytetrasulfanyl)formic acid.
What is the SMILES notation for (carboxytetrasulfanyl)formic acid?
The canonical SMILES for (carboxytetrasulfanyl)formic acid is O=C(O)SSSSC(=O)O.
What is the InChIKey of (carboxytetrasulfanyl)formic acid?
The InChIKey is ZYZVXOBTRKPBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4S4/c3-1(4)7-9-10-8-2(5)6/h(H,3,4)(H,5,6).
What are the key properties of (carboxytetrasulfanyl)formic acid?
(carboxytetrasulfanyl)formic acid has a molecular weight of 218.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (carboxytetrasulfanyl)formic acid is sourced from PubChem (CID 87491014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).