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

  • methyl 2-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-2-methyl-3-(piperazin-1-yl)phenyl]acetate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • (2R)-2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanamido]propanoic acid
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 5-{[(5-Bromopyridin-3-yl)sulfanyl]methyl}-1,3-oxazolidin-2-one
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 3-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]cyclobutane-1-carboxylic acid
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide