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Substance Name: Heptanoyl thiourea
RN: 6281-73-8
UNII: 62BBJ42SY9
InChIKey: HQQSVTFPFYOGPS-UHFFFAOYSA-N

Molecular Formula

  • C8-H16-N2-O-S

Molecular Weight

  • 188.293
 
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Names and Synonyms

Name of Substance

  • Heptanoyl thiourea

Synonyms

  • 3-03-00-00304 (Beilstein Handbook Reference)
  • BRN 1769369
  • Heptanoyl thiourea
  • NSC 5865
  • UNII-62BBJ42SY9
  • Urea, 1-heptanoyl-2-thio-
  • USAF B-104

Systematic Names

  • Heptanamide, N-(aminothioxomethyl)- (9CI)
  • Urea, 1-heptanoyl-2-thio-

Registry Numbers

CAS Registry Number

  • 6281-73-8

FDA UNII

  • 62BBJ42SY9

System Generated Number

  • 0006281738

Structure Descriptors

InChI

1S/C8H16N2OS/c1-2-3-4-5-6-7(11)10-8(9)12/h2-6H2,1H3,(H3,9,10,11,12)

InChIKey

HQQSVTFPFYOGPS-UHFFFAOYSA-N

Smiles

C(=O)(CCCCCC)NC(=S)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 5gm/kg (5000mg/kg)   Journal of the American Chemical Society. Vol. 62, Pg. 3273, 1940.
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD277-689,