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7783-18-8 molecular structure
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dihydroxy-1λ6-disulfen-1-one diamine

ChemBase ID: 148328
Molecular Formular: H8N2O3S2
Molecular Mass: 148.20512
Monoisotopic Mass: 147.99763413
SMILES and InChIs

SMILES:
N.N.OS(=O)(=S)O
Canonical SMILES:
OS(=S)(=O)O.N.N
InChI:
InChI=1S/2H3N.H2O3S2/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)
InChIKey:
XYXNTHIYBIDHGM-UHFFFAOYSA-N

Cite this record

CBID:148328 http://www.chembase.cn/molecule-148328.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dihydroxy-1λ6-disulfen-1-one diamine
IUPAC Traditional name
thiosulfuric acid diamine
Synonyms
Ammonium thiosulfate
硫代硫酸铵
CAS Number
7783-18-8
EC Number
231-982-0
MDL Number
MFCD00015965
PubChem SID
24860416
162242504
PubChem CID
6857883

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6857883 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.69897  H Acceptors
H Donor LogD (pH = 5.5) -2.1907825 
LogD (pH = 7.4) -2.3771908  Log P 0.048317563 
Molar Refractivity 21.7617 cm3 Polarizability 9.371016 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
ethanol: insoluble expand Show data source
H2O: very soluble expand Show data source
Apperance
crystals and lumps expand Show data source
Melting Point
150 °C(lit.) expand Show data source
Density
1.679 g/mL at 25 °C(lit.) expand Show data source
RTECS
XN6465000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Impurities
≤0.002% heavy metals (as Pb) expand Show data source
Cation Traces
Fe: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤200 mg/kg expand Show data source
sulfate, sulfite (as SO42-): ≤1% expand Show data source
Linear Formula
(NH4)2S2O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 336726 external link
Packaging
2.5 kg in glass bottle
500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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