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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
InChI=1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2InChIKey
PQJUJGAVDBINPI-UHFFFAOYSA-NSmiles
C1c2ccccc2Sc3ccccc13Physical 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.