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52069-54-2

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Basic Information
CAS No.: 52069-54-2
Name: Potassium [(cyanomethyl)thio]acetate
Molecular Structure:
Molecular Structure of 52069-54-2 (Potassium [(cyanomethyl)thio]acetate)
Formula: C4H4KNO2S
Molecular Weight: 169.24
Synonyms: Aceticacid, [(cyanomethyl)thio]-, potassium salt (9CI);Potassium(cyanomethylthio)acetate;Potassium [(cyanomethyl)sulfanyl]acetate;
EINECS: 1806241-263-5
PSA: 89.22000
LogP: -1.00692
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Specification

The systematic name of Potassium [(cyanomethyl)thio]acetate is acetic acid, 2-[(cyanomethyl)thio]-, potassium salt (1:1). With the CAS registry number 52069-54-2, it is also named as Potassium [(cyanomethyl)sulfanyl]acetate. In addition, its molecular formula is C4H4KNO2S and molecular weight is 169.24.

People can use the following data to convert to the molecule structure.
(1)SMILES: S=P(Oc1ccccc1C)(Oc2ccccc2C)S
(2)InChI: InChI=1/C14H15O2PS2/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,18,19)
(3)InChIKey: DFVPPGZSXADRCW-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C14H15O2PS2/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,18,19)
(5)Std. InChIKey: DFVPPGZSXADRCW-UHFFFAOYSA-N