dipotassium (5-sulfanidyl-1,3,4-thiadiazol-2-yl)sulfanide

• ChemBase ID: 302225
• Molecular Formular: C2K2N2S3
• Molecular Mass: 226.4264
• Monoisotopic Mass: 225.84977437
• SMILES: c1(nnc(s1)[S-])[S-].[K+].[K+]
• Canonical SMILES: [S-]c1nnc(s1)[S-].[K+].[K+]
• InChI: InChI=1S/C2H2N2S3.2K/c5-1-3-4-2(6)7-1;;/h(H,3,5)(H,4,6);;/q;2*+1/p-2
• InChIKey: GPWLFGDMYSVEGN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium (5-sulfanidyl-1,3,4-thiadiazol-2-yl)sulfanide
• IUPAC Traditional name: dipotassium (5-sulfanidyl-1,3,4-thiadiazol-2-yl)sulfanide
• Synonyms: Bismuthiol I dipotassium salt; 2,5-Dimercapto-1,3,4-thiadiazole dipotassium salt; 2,5-二巯基-1,3,4-噻二唑二钾盐

Database IDs

• CAS Number: 4628-94-8
• EC Number: 225-043-4
• MDL Number: MFCD00003104
• Beilstein Number: 4917786

CALCULATED PROPERTIES

• Acid pKa: 5.7661357
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1221135
• LogD (pH = 7.4): -0.19579072
• Log P: 1.3032063
• Molar Refractivity: 30.68 cm^3
• Polarizability: 13.968608 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 274°C dec.

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 97%