6H-Purin-6-one,8-(dodecylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-

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Names

[ CAS No. ]:
6466-12-2

[ Name ]:
6H-Purin-6-one,8-(dodecylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-

[Synonym ]:
2-Thio-8-(N-dodecylthio)theophylline
Uric acid,1,3-dimethyl-8-dodecylthio-2-thio
Theophylline,(8-dodecylthio)-2-thio

Chemical & Physical Properties

[ Density]:
1.18g/cm3

[ Boiling Point ]:
555.9ºC at 760 mmHg

[ Molecular Formula ]:
C19H32N4OS2

[ Molecular Weight ]:
396.61400

[ Flash Point ]:
290ºC

[ Exact Mass ]:
396.20200

[ PSA ]:
113.00000

[ LogP ]:
5.34260

[ Index of Refraction ]:
1.596

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5158000
CHEMICAL NAME :
Theophylline, 8-dodecylthio-2-thio-
CAS REGISTRY NUMBER :
6466-12-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H32-N4-O-S2
MOLECULAR WEIGHT :
396.67
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS12 F1 GUS H1

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 :
100 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#04452

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

  • 1-(4-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole
  • 4-(1-Methoxy-1-oxopropan-2-yl)benzoic acid
  • 3,5-Diethoxy-4-[1,2,4]triazol-1-yl-benzaldehyde
  • 7-Nitro-1H-benzimidazole-2-carboxamide
  • 3-Ethoxy-5-(tetrahydro-pyran-4-yloxy)-benzaldehyde
  • 6-(methylsulfanyl)-N-(4-{[(propan-2-yl)carbamoyl]amino}phenyl)pyridine-3-carboxamide
  • 1-(2-Methylpentyl)pyrrolidine
  • 2-(4-Chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole
  • 2-Bromo-5-fluoro-N'-hydroxybenzene-1-carboximidamide
  • 2-((Chloromethyl)dimethylsilyl)acetic acid
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