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Substance Name: 2-Thioxanthene
RN: 2487-40-3
UNII: PL0PPI1U9A
InChIKey: XNHFAGRBSMMFKL-UHFFFAOYSA-N

Molecular Formula

  • C5-H4-N4-O-S

Molecular Weight

  • 168.1796
 
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Names and Synonyms

Name of Substance

  • 2-Thioxanthene

Synonyms

  • 1,2,3,7-Tetrahydro-2-thioxo-6H-purin-6-one
  • 2-Mercapto-6-hydroxypurine
  • 2-Thio-6-oxypurine
  • 2-Thioxanthine
  • 6-Hydroxy-2-mercaptopurine
  • 6-Hydroxypurine-2-thiol
  • AI3-52144
  • EINECS 219-636-7
  • NSC 36822
  • NSC 680828
  • UNII-PL0PPI1U9A

Systematic Names

  • 1,2,3,7-Tetrahydro-2-thioxo-6H-purin-6-one
  • 6H-Purin-6-one, 1,2,3,7-tetrahydro-2-thioxo-
  • 6H-Purin-6-one, 1,2,3,9-tetrahydro-2-thioxo-
  • Xanthine, 2-thio- (8CI)
  • Xanthine, 2-thio- (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 2487-40-3

FDA UNII

  • PL0PPI1U9A

Other Registry Numbers

  • 3240-64-0
  • 5167-21-5
  • 6050-40-4
  • 69-90-9

System Generated Number

  • 0002487403

Structure Descriptors

InChI

1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

InChIKey

XNHFAGRBSMMFKL-UHFFFAOYSA-N

Smiles

c1[nH]c2c(n1)[nH]c(=S)[nH]c2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 625mg/kg (625mg/kg)   National Technical Information Service. Vol. AD691-490,