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Substance Name: 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(6-sulfo-1-naphthyl)-4,4,6-trimethyl-
RN: 6281-67-0
InChIKey: HXQOWRHOMDDCSS-UHFFFAOYSA-N

Molecular Formula

  • C17-H18-N2-O3-S2

Molecular Weight

  • 362.4722
 
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Names and Synonyms

Synonyms

  • 1-(6-Sulfo-1-naphthyl)-2-thio-4,4,6-trimethyl dihydropyrimidine
  • NSC 5836
  • USAF K-1565

Systematic Names

  • 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(6-sulfo-1-naphthyl)-4,4,6-trimethyl-
  • 2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 6281-67-0

System Generated Number

  • 0006281670

Structure Descriptors

InChI

1S/C17H18N2O3S2/c1-11-10-17(2,3)18-16(23)19(11)15-6-4-5-12-9-13(24(20,21)22)7-8-14(12)15/h4-10H,1-3H3,(H,18,23)(H,20,21,22)

InChIKey

HXQOWRHOMDDCSS-UHFFFAOYSA-N

Smiles

CC1=CC(NC(=S)N1c2cccc3c2ccc(c3)S(=O)(=O)O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,