diammonium 1-oxo-1λ6-disulfene-1,1-bis(olate)

• ChemBase ID: 125842
• Molecular Formular: H8N2O3S2
• Molecular Mass: 148.20512
• Monoisotopic Mass: 147.99763413
• SMILES: [O-]S(=O)(=S)[O-].[NH4+].[NH4+]
• Canonical SMILES: [O-]S(=S)(=O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/2H3N.H2O3S2/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)
• InChIKey: XYXNTHIYBIDHGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium 1-oxo-1λ^6-disulfene-1,1-bis(olate)
• IUPAC Traditional name: diammonium hypo
• Synonyms: Ammonium thiosulfate; Ammonium thiosulphate; Ammonium thiosulfate; 硫代硫酸铵

Database IDs

• CAS Number: 7783-18-8
• EC Number: 231-982-0
• MDL Number: MFCD00015965
• Merck Index: 14562
• PubChem SID: 162220187
• PubChem CID: 6096946
• Chemspider ID: 4807475
• Wikipedia Title: Ammonium_thiosulfate

CALCULATED PROPERTIES

• Acid pKa: 2.69897
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1907825
• LogD (pH = 7.4): -2.3771908
• Log P: 0.048317563
• Molar Refractivity: 19.5183 cm^3
• Polarizability: 9.065478 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 180°C dec.
• Density: 1.64

Safety Information

• Storage Warning: Hygroscopic
• RTECS: XN6465000
• TSCA Listed: 是
• GHS Hazard statements: H303
• GHS Precautionary statements: P312

Product Information

• Purity: 99%