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Substance Name: 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(o-nitrophenyl)-4,4,6-trimethyl-
RN: 50403-73-1
InChIKey: XIZVGHGAGIWVAW-UHFFFAOYSA-N

Molecular Formula

  • C13-H15-N3-O2-S

Molecular Weight

  • 277.3465
 
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Names and Synonyms

Synonyms

  • 1-(2-Nitrophenyl)-2-thio-4,4,6-trimethyl dihydropyrimidine
  • AI3-24613
  • USAF K-1351

Systematic Names

  • 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(o-nitrophenyl)-4,4,6-trimethyl-
  • 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(2-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 50403-73-1

System Generated Number

  • 0050403731

Structure Descriptors

InChI

1S/C13H15N3O2S/c1-9-8-13(2,3)14-12(19)15(9)10-6-4-5-7-11(10)16(17)18/h4-8H,1-3H3,(H,14,19)

InChIKey

XIZVGHGAGIWVAW-UHFFFAOYSA-N

Smiles

CC1=CC(NC(=S)N1c2ccccc2[N+](=O)[O-])(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,