1,3,4-Thiadiazole-2,5-dithiol dipotassium salt

C2H2K2N2S3 — CID 66674087

IUPAC—
SMILESS=c1[nH][nH]c(=S)s1.[K].[K]
InChIInChI=1S/C2H2N2S3.2K/c5-1-3-4-2(6)7-1;;/h(H,3,5)(H,4,6);;
InChIKeyAPBOZDGTRCWHKW-UHFFFAOYSA-N
MW228.45 g/mol
LogP1.10
Rot. Bonds

About 1,3,4-Thiadiazole-2,5-dithiol dipotassium salt

1,3,4-Thiadiazole-2,5-dithiol dipotassium salt (PubChem CID 66674087) has the molecular formula C2H2K2N2S3 and a molecular weight of 228.45 g/mol.

Molecular Properties

Compound Name1,3,4-Thiadiazole-2,5-dithiol dipotassium salt
PubChem CID66674087
Molecular FormulaC2H2K2N2S3
Molecular Weight228.45 g/mol
Exact Mass227.87
IUPAC Name—
SMILESS=c1[nH][nH]c(=S)s1.[K].[K]
InChIInChI=1S/C2H2N2S3.2K/c5-1-3-4-2(6)7-1;;/h(H,3,5)(H,4,6);;
InChIKeyAPBOZDGTRCWHKW-UHFFFAOYSA-N
XLogP1.10
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-Thiadiazole-2,5-dithiol dipotassium salt?
The IUPAC name of 1,3,4-Thiadiazole-2,5-dithiol dipotassium salt (CID 66674087) is not available.
What is the SMILES notation for 1,3,4-Thiadiazole-2,5-dithiol dipotassium salt?
The canonical SMILES for 1,3,4-Thiadiazole-2,5-dithiol dipotassium salt is S=c1[nH][nH]c(=S)s1.[K].[K].
What is the InChIKey of 1,3,4-Thiadiazole-2,5-dithiol dipotassium salt?
The InChIKey is APBOZDGTRCWHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2S3.2K/c5-1-3-4-2(6)7-1;;/h(H,3,5)(H,4,6);;.
What are the key properties of 1,3,4-Thiadiazole-2,5-dithiol dipotassium salt?
1,3,4-Thiadiazole-2,5-dithiol dipotassium salt has a molecular weight of 228.45 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-Thiadiazole-2,5-dithiol dipotassium salt is sourced from PubChem (CID 66674087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).