1H-Purine-2,6-dithione,3,9-dihydro-1,3-dimethyl-8-(methylthio)-

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Names

[ CAS No. ]:
6466-20-2

[ Name ]:
1H-Purine-2,6-dithione,3,9-dihydro-1,3-dimethyl-8-(methylthio)-

[Synonym ]:
Uric acid,1,3-dimethyl-2,6-dithio-8-methylthio
Theophylline,2,6-dithio-8-methylthio
2,6-Dithio-8-methyltheophylline
Theophylline,8-(methylthio)dithio

Chemical & Physical Properties

[ Density]:
1.58g/cm3

[ Boiling Point ]:
465.7ºC at 760mmHg

[ Molecular Formula ]:
C8H10N4S3

[ Molecular Weight ]:
258.38700

[ Flash Point ]:
235.5ºC

[ Exact Mass ]:
258.00700

[ PSA ]:
128.02000

[ LogP ]:
2.42080

[ Index of Refraction ]:
1.799

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5155000
CHEMICAL NAME :
Theophylline, 2,6-dithio-8-methylthio-
CAS REGISTRY NUMBER :
6466-20-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H10-N4-S3
MOLECULAR WEIGHT :
258.40
WISWESSER LINE NOTATION :
T56 BM DN FNYNYJ CS1 F1 GUS H1 IUS

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 :
56 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#04442

Safety Information

[ HS Code ]:
2933990090

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

  • Tert-butyl N-[(1-methyl-2-oxocyclopentyl)methyl]carbamate
  • 2-Chloro-1-[(1R,2R)-2-thiophen-2-ylcyclopropyl]ethanone
  • (3R,5R)-3-(tert-butoxy)-5-methoxypiperidine
  • CID 155820239
  • 8-[(2-Methylpropan-2-yl)oxycarbonyl]-3,8-diazabicyclo[3.2.1]octane-1-carboxylic acid
  • 3-Iodo-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
  • 1-(1-Boc-3-azetidinyl)-3-bromopyrazole
  • Propan-2-yl 2,4-dichloro-5-propan-2-yloxysulfonylbenzoate
  • 3-Ethyl-5-ethynyl-1,2-oxazole
  • 7-Oxa-5-azaspiro[3.4]octane-2,6-dione
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