Theophylline, 8-(2-aminoethyl)thio-6-thio-

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Names

[ CAS No. ]:
6559-88-2

[ Name ]:
Theophylline, 8-(2-aminoethyl)thio-6-thio-

[Synonym ]:
Theophylline,8-(2-aminoethyl)thio-6-thio
6-Thio-8-(2'-aminoethyl)thiotheophylline
Uric acid,8-(2-aminoethyl)thio-1,3-dimethyl-6-thio

Chemical & Physical Properties

[ Density]:
1.55g/cm3

[ Boiling Point ]:
510ºC at 760 mmHg

[ Molecular Formula ]:
C9H13N5OS2

[ Molecular Weight ]:
271.36200

[ Flash Point ]:
262.2ºC

[ Exact Mass ]:
271.05600

[ PSA ]:
139.02000

[ LogP ]:
1.08070

[ Index of Refraction ]:
1.745

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH3980000
CHEMICAL NAME :
Theophylline, 8-(2-aminoethyl)thio-6-thio-
CAS REGISTRY NUMBER :
6559-88-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H13-N5-O-S2
MOLECULAR WEIGHT :
271.39
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS2Z F1 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 :
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#04461

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

  • JA2-4 (NSC99657)
  • 2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[2-(1-piperidinyl)ethyl]thio]-6-thioxo-
  • 2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(2-pyridinylmethyl)thio]-6-thioxo-
  • Uric acid, 1, 3-dimethyl-(8-dodecylthio)-6-thio-
  • 2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-(2-propen-1-ylthio)-6-thioxo-
  • 2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(3-pyridinylmethyl)thio]-6-thioxo-
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 2-(1-methyl-1H-1,3-benzodiazol-5-yl)butanoic acid
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 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
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide