CID 15796305

H2O6S4Se — CID 15796305

IUPAC—
SMILESO=S(=O)(O)S[Se]SS(=O)(=O)O
InChIInChI=1S/H2O6S4Se/c1-9(2,3)7-11-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)
InChIKeyDBTDANUEQPTAPT-UHFFFAOYSA-N
MW305.24 g/mol
LogP-0.41
Rot. Bonds4

About CID 15796305

CID 15796305 (PubChem CID 15796305) has the molecular formula H2O6S4Se and a molecular weight of 305.24 g/mol.

Molecular Properties

Compound NameCID 15796305
PubChem CID15796305
Molecular FormulaH2O6S4Se
Molecular Weight305.24 g/mol
Exact Mass305.79
IUPAC Name—
SMILESO=S(=O)(O)S[Se]SS(=O)(=O)O
InChIInChI=1S/H2O6S4Se/c1-9(2,3)7-11-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)
InChIKeyDBTDANUEQPTAPT-UHFFFAOYSA-N
XLogP-0.41
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 15796305?
The IUPAC name of CID 15796305 (CID 15796305) is not available.
What is the SMILES notation for CID 15796305?
The canonical SMILES for CID 15796305 is O=S(=O)(O)S[Se]SS(=O)(=O)O.
What is the InChIKey of CID 15796305?
The InChIKey is DBTDANUEQPTAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O6S4Se/c1-9(2,3)7-11-8-10(4,5)6/h(H,1,2,3)(H,4,5,6).
What are the key properties of CID 15796305?
CID 15796305 has a molecular weight of 305.24 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15796305 is sourced from PubChem (CID 15796305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).