9H-purine-2,6-dithiol

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Names

[ CAS No. ]:
5437-25-2

[ Name ]:
9H-purine-2,6-dithiol

[Synonym ]:
MFCD00022644
9H-purine-2,6-dithiol
EINECS 226-608-8
1H-Purine-2,6-dithione, 3,9-dihydro-
2H-Purine-2-thione, 1,9-dihydro-6-mercapto-
3,7-dihydropurine-2,6-dithione
1H-purine-2,6-dithione, 3,7-dihydro-
6-Sulfanyl-1,9-dihydro-2H-purine-2-thione
3,7-Dihydro-1H-purine-2,6-dithione

Chemical & Physical Properties

[ Density]:
1.8±0.1 g/cm3

[ Boiling Point ]:
496.2±37.0 °C at 760 mmHg

[ Melting Point ]:
>350 °C(lit.)

[ Molecular Formula ]:
C5H4N4S2

[ Molecular Weight ]:
184.24

[ Flash Point ]:
253.9±26.5 °C

[ Exact Mass ]:
183.987732

[ PSA ]:
132.06000

[ LogP ]:
-0.60

[ Vapour Pressure ]:
0.0±1.3 mmHg at 25°C

[ Index of Refraction ]:
1.890

[ Storage condition ]:
−20°C

[ Water Solubility ]:
slightly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8475000
CHEMICAL NAME :
Purine-2,6-dithiol
CAS REGISTRY NUMBER :
5437-25-2
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H4-N4-S2
MOLECULAR WEIGHT :
184.25
WISWESSER LINE NOTATION :
T56 BM DN FN HNJ GSH ISH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03045

Safety Information

[ Safety Phrases ]:
S24/25

[ WGK Germany ]:
3

[ RTECS ]:
UO8475000

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Thioxanthine
  • Formic Acid
  • 2,4-Dimercapto-5,6-diaminopyrimidine
  • 2,6-diiodo-7H-purine
  • 2,6,8-trichloropurine
  • 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro- (9CI)
  • 2,6-Dichloropurine

DownStream

  • Purine
  • 2,6-Dibromo-1H-purine
  • 6-Amino-2-bromopurine
  • 9H-Purine,2,6-bis(methylthio)-
  • Adenosine,2-bromo-2'-deoxy- (9CI)
  • 9-methyl-2,6-bis(methylsulfanyl)purine
  • 7-methyl-2,6-bis(methylsulfanyl)purine

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%

Related Compounds

  • 9H-Purine-2,6-diamine,8-(2-nitrophenyl)-
  • 9H-Purine-2,6-diamine, 9-(4-methoxyphenyl)-
  • 9H-Purine-2,6-diamine,8-phenyl-
  • 9H-Purine,2,6-diamino-9-(6-deoxy-b-D-allofuranosyl)-,monohydrochloride (8CI)
  • 9H-Purine,2,6,8-trichloro-9-methyl-
  • 9H-Purine,2,6,8-trichloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-