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Substance Name: 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-mercaptophenyl)-4,4,6-trimethyl-
RN: 63917-27-1
InChIKey: HYMDTYGHYSUVHW-UHFFFAOYSA-N

Molecular Formula

  • C13-H16-N2-S2

Molecular Weight

  • 264.4154
 
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Names and Synonyms

Synonyms

  • 1,4-Dihydro-1-(o-mercaptophenyl)-4,4,6-trimethyl-2-pyrimidinethiol
  • 3,4-Dihydro-1-(2-mercaptophenyl)-4,4,6-trimethyl-2(1H)-pyrimidinethione

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63917-27-1

System Generated Number

  • 0063917271

Structure Descriptors

InChI

1S/C13H16N2S2/c1-9-8-13(2,3)14-12(17)15(9)10-6-4-5-7-11(10)16/h4-8,16H,1-3H3,(H,14,17)

InChIKey

HYMDTYGHYSUVHW-UHFFFAOYSA-N

Smiles

CC1=CC(NC(=S)N1c2ccccc2S)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   National Technical Information Service. Vol. AD691-490,