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Substance Name: 1-(3-Nitrophenyl)-4,4,6-trimethyl-1H,4H-pyrimidine-2-thiol
RN: 37489-52-4
InChIKey: FPHPUXDLDLVQCI-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C13-H15-N3-O2-S

Molecular Weight

  • 277.346
 
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Names and Synonyms

Name of Substance

  • 1-(3-Nitrophenyl)-4,4,6-trimethyl-1H,4H-pyrimidine-2-thiol

Synonyms

  • 1-(3-Nitrophenyl)-2-thio-4,4,6-trimethyl dihydropyrimidine
  • 1-(3-Nitrophenyl)-4,4,6-trimethyl-1H,4H-pyrimidine-2-thiol
  • NSC 49831
  • USAF K-1352

Systematic Names

  • 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(m-nitrophenyl)-4,4,6-trimethyl-
  • 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-nitrophenyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 37489-52-4

System Generated Number

  • 0037489524

Structure Descriptors

InChI

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

InChIKey

FPHPUXDLDLVQCI-UHFFFAOYSA-N

Smiles

C1(N(C(C)=CC(N1)(C)C)c1cc([N+]([O-])=O)ccc1)=S

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,