2-Thioxanthine

Modify Date: 2025-08-23 23:51:51

2-Thioxanthine Structure
2-Thioxanthine structure
 Common Name 2-Thioxanthine
CAS Number 2487-40-3 Molecular Weight 168.17600
Density 1.78g/cm3 Boiling Point N/A
Molecular Formula C5H4N4OS Melting Point >300°C
MSDS N/A Flash Point N/A

 Names

Name 2-Thioxanthine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.78g/cm3
Melting Point >300°C
Molecular Formula C5H4N4OS
Molecular Weight 168.17600
Exact Mass 168.01100
PSA 109.42000
LogP 0.30880
Index of Refraction 2.019

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP0825000
CHEMICAL NAME :
6H-Purin-6-one, 1,2,3,7-tetrahydro-2-thioxo-
CAS REGISTRY NUMBER :
2487-40-3
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H4-N4-O-S
MOLECULAR WEIGHT :
168.19
WISWESSER LINE NOTATION :
T56 BN DM FVMYMJ HUS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
625 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

 Safety Information

Risk Phrases 36/37/38
Safety Phrases S26-S37
RTECS UP0825000
HS Code 2933990090

 Synthetic Route

5,6-Diamino-2-sulfanylpyrimidin-4-ol structure

5,6-Diamino-2-s...

CAS#:1004-76-8

~%

2-Thioxanthine Structure

2-Thioxanthine

CAS#:2487-40-3

Literature: Journal of the American Chemical Society, , vol. 78, p. 217,219
4,5-diamino-2-thiouracil sulfate structure

4,5-diamino-2-t...

CAS#:117043-67-1

~%

2-Thioxanthine Structure

2-Thioxanthine

CAS#:2487-40-3

Literature: Journal of the American Chemical Society, , vol. 78, p. 217,219
5,6-Diamino-2-sulfanylpyrimidin-4-ol structure

5,6-Diamino-2-s...

CAS#:1004-76-8

(Z)-Methanimidic acid structure

(Z)-Methanimidi...

CAS#:77287-34-4

~%

2-Thioxanthine Structure

2-Thioxanthine

CAS#:2487-40-3

Literature: Journal of the American Chemical Society, , vol. 76, p. 5633,5635,5636 Journal of the American Chemical Society, , vol. 75, p. 263,264
4,5-diamino-2-thiouracil sulfate structure

4,5-diamino-2-t...

CAS#:117043-67-1

(Z)-Methanimidic acid structure

(Z)-Methanimidi...

CAS#:77287-34-4

~%

2-Thioxanthine Structure

2-Thioxanthine

CAS#:2487-40-3

Literature: Journal of the American Chemical Society, , vol. 76, p. 5633,5635,5636 Journal of the American Chemical Society, , vol. 75, p. 263,264
6-amino-2-sulfanylpyrimidin-4-ol structure

6-amino-2-sulfa...

CAS#:1004-40-6

~%

2-Thioxanthine Structure

2-Thioxanthine

CAS#:2487-40-3

Literature: Chemische Berichte, , vol. 88, p. 1306,1309

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-thioxanthene
Xanthine,2-thio
2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one
2-Mercaptoxanthine
2-thioxo-1,2,3,7-tetrahydro-purin-6-one
MFCD00031505
2-THIO-6-OXOPURINE
6-hydroxypurine-2-thiol
2-thio-xanthin
EINECS 219-636-7
2-Thioxo-2,3-dihydro-1H-purin-6(7H)-one
2-THIO-6-OXYPURINE
6-Hydroxy-2-mercaptopurine
2-MERCAPTOHYPOXANTHINE
2-Thioxo-1,2,3,7-tetrahydro-purin-6-on
1,2,3,7-tetrahydro-2-thioxo-6H-purin-6-one
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