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Substance Name: Thioxanthine
RN: 261-31-4
UNII: 1J3P67894A
InChIKey: PQJUJGAVDBINPI-UHFFFAOYSA-N

Note

  • Gpt/6-TXenzyme/prodrug pair is a promising alternative to the thymidine kinase gene and ganciclovir combination in the gene therapy of cancer.

Molecular Formula

  • C13-H10-S

Molecular Weight

  • 198.288
 
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Names and Synonyms

Name of Substance

  • Thioxanthene
  • Thioxanthine

Synonyms

  • EINECS 205-972-1
  • UNII-1J3P67894A

Systematic Name

  • 10H-Dibenzo(b,e)thiin

Registry Numbers

CAS Registry Number

  • 261-31-4

FDA UNII

  • 1J3P67894A

System Generated Number

  • 0000261314

Structure Descriptors

InChI

1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2

InChIKey

PQJUJGAVDBINPI-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)Cc3ccccc3S2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 128.5 deg C   EXP
Boiling Point 341 deg C   EXP
log P (octanol-water) 4.550 (none)   EST
Atmospheric OH Rate Constant 3.16E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.