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Substance Name: 6-Thiocyanato-thymol
RN: 6074-31-3
UNII: L73342S8Y2
InChIKey: JCBPZRGUDJXNCD-UHFFFAOYSA-N

Molecular Formula

  • C11-H13-N-O-S

Molecular Weight

  • 207.296
 
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Names and Synonyms

Name of Substance

  • 6-Thiocyanato-thymol

Synonyms

  • 3-06-00-04676 (Beilstein Handbook Reference)
  • 5-Hydroxycarvacryl thiocyanate
  • AI3-19642
  • BRN 2967583
  • NSC 31029
  • NSC 4698
  • Thiocyanic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)phenyl ester
  • Thymol thiocyanate
  • UNII-L73342S8Y2

Systematic Names

  • Thiocyanic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)phenyl ester
  • Thiocyanic acid, 5-hydroxycarvacryl ester

Registry Numbers

CAS Registry Number

  • 6074-31-3

FDA UNII

  • L73342S8Y2

System Generated Number

  • 0006074313

Structure Descriptors

InChI

1S/C11H13NOS/c1-7(2)9-5-11(14-6-12)8(3)4-10(9)13/h4-5,7,13H,1-3H3

InChIKey

JCBPZRGUDJXNCD-UHFFFAOYSA-N

Smiles

c1(cc(SC#N)c(cc1O)C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Japanese Journal of Pharmacology. Vol. 3, Pg. 99, 1954.
mouse LD50 subcutaneous 200mg/kg (200mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Japanese Journal of Pharmacology. Vol. 3, Pg. 99, 1954.