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10387-40-3 molecular structure
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potassium ethanethioate

ChemBase ID: 180132
Molecular Formular: C2H3KOS
Molecular Mass: 114.20792
Monoisotopic Mass: 113.9541674
SMILES and InChIs

SMILES:
C(=S)([O-])C.[K+]
Canonical SMILES:
[O-]C(=S)C.[K+]
InChI:
InChI=1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKey:
AFNBMGLGYSGFEZ-UHFFFAOYSA-M

Cite this record

CBID:180132 http://www.chembase.cn/molecule-180132.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium ethanethioate
IUPAC Traditional name
potassium ethanethioate
Synonyms
Potassium thioacetate
CAS Number
10387-40-3
PubChem SID
164236042
PubChem CID
23670855

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
CHO0155 external link
PubChem 23670855 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.427926  H Acceptors
H Donor LogD (pH = 5.5) -0.43935055 
LogD (pH = 7.4) -2.1997945  Log P 0.6665239 
Molar Refractivity 31.4717 cm3 Polarizability 8.126938 Å3
Polar Surface Area 23.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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