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Substance Name: 1-Thiocyanohexane
RN: 6803-40-3
UNII: SCX6IA45CK
InChIKey: BESHFZBHEPQOSU-UHFFFAOYSA-N

Molecular Formula

  • C7-H13-N-S

Molecular Weight

  • 143.253
 
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Names and Synonyms

Name of Substance

  • 1-Thiocyanohexane

Synonyms

  • 1-Thiocyanohexane
  • 4-03-00-00331 (Beilstein Handbook Reference)
  • BRN 1748295
  • Hexylrhodanid
  • Hexylrhodanid [German]
  • NSC 9042
  • UNII-SCX6IA45CK

Systematic Name

  • Thiocyanic acid, hexyl ester

Registry Numbers

CAS Registry Number

  • 6803-40-3

FDA UNII

  • SCX6IA45CK

System Generated Number

  • 0006803403

Structure Descriptors

InChI

1S/C7H13NS/c1-2-3-4-5-6-9-7-8/h2-6H2,1H3

InChIKey

BESHFZBHEPQOSU-UHFFFAOYSA-N

Smiles

C(#N)SCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo subcutaneous 100mg/kg (100mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 150, Pg. 257, 1930.