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13686-28-7 molecular structure
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dihydroxy-1λ6-disulfen-1-one

ChemBase ID: 129877
Molecular Formular: H2O3S2
Molecular Mass: 114.14408
Monoisotopic Mass: 113.94453592
SMILES and InChIs

SMILES:
O=S(=S)(O)O
Canonical SMILES:
OS(=S)(=O)O
InChI:
InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)
InChIKey:
DHCDFWKWKRSZHF-UHFFFAOYSA-N

Cite this record

CBID:129877 http://www.chembase.cn/molecule-129877.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dihydroxy-1λ6-disulfen-1-one
IUPAC Traditional name
thiosulfuric acid
Synonyms
thiosulfuric acid
dihydroxidooxidosulfidosulfur
Thiosulfuric acid
CAS Number
13686-28-7
PubChem SID
162224163
PubChem CID
24478
CHEBI ID
29279
Chemspider ID
22886
Wikipedia Title
Thiosulfuric_acid

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 0.04826918  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  Acid pKa 11.351257 
H Acceptors H Donor
LogD (pH = 5.5) 0.04831695 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Solubility
decomposes in water expand Show data source
Melting Point
decomposes below 0 °C expand Show data source
pKa
0.6, 1.74 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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