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Substance Name: Thiocyanic acid, 1,1-dimethyl-3-oxobutyl ester
RN: 26094-11-1
InChIKey: KZOYOWHFCLDEAN-UHFFFAOYSA-N

Molecular Formula

  • C7-H11-N-O-S

Molecular Weight

  • 157.236
 
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Names and Synonyms

Synonyms

  • 1,1-Dimethyl-3-oxobutylthiocyanate
  • omega-Rhodanpinakolin
  • omega-Rhodanpinakolin [German]
  • Rhodanpinacolin

Systematic Name

  • Thiocyanic acid, 1,1-dimethyl-3-oxobutyl ester

Registry Numbers

CAS Registry Number

  • 26094-11-1

System Generated Number

  • 0026094111

Structure Descriptors

InChI

1S/C7H11NOS/c1-6(9)4-7(2,3)10-5-8/h4H2,1-3H3

InChIKey

KZOYOWHFCLDEAN-UHFFFAOYSA-N

Smiles

S(C#N)C(CC(C)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 250mg/kg (250mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
"Studien uber die Pharmakologie des Pinakolins und einiger seiner Derivate mit besonderer Berucksichtigung der Kreislaufwirkung, Dissertation," Bang, L., Pharmakologischen Abteilung des Karolinischen Instituts, Stockholm, Sweden, 1934Vol. -, Pg. -, 1934.