CID 86744803

C2H6NaO3S2 — CID 86744803

IUPAC—
SMILESCCS(=O)(=O)OS.[Na]
InChIInChI=1S/C2H6O3S2.Na/c1-2-7(3,4)5-6;/h6H,2H2,1H3;
InChIKeyQMJKGDAXEPRURD-UHFFFAOYSA-N
MW165.19 g/mol
LogP-0.18
Rot. Bonds2

About CID 86744803

CID 86744803 (PubChem CID 86744803) has the molecular formula C2H6NaO3S2 and a molecular weight of 165.19 g/mol.

Molecular Properties

Compound NameCID 86744803
PubChem CID86744803
Molecular FormulaC2H6NaO3S2
Molecular Weight165.19 g/mol
Exact Mass164.97
IUPAC Name—
SMILESCCS(=O)(=O)OS.[Na]
InChIInChI=1S/C2H6O3S2.Na/c1-2-7(3,4)5-6;/h6H,2H2,1H3;
InChIKeyQMJKGDAXEPRURD-UHFFFAOYSA-N
XLogP-0.18
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 86744803?
The IUPAC name of CID 86744803 (CID 86744803) is not available.
What is the SMILES notation for CID 86744803?
The canonical SMILES for CID 86744803 is CCS(=O)(=O)OS.[Na].
What is the InChIKey of CID 86744803?
The InChIKey is QMJKGDAXEPRURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S2.Na/c1-2-7(3,4)5-6;/h6H,2H2,1H3;.
What are the key properties of CID 86744803?
CID 86744803 has a molecular weight of 165.19 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86744803 is sourced from PubChem (CID 86744803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).