1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one

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Names

[ CAS No. ]:
4776-11-8

[ Name ]:
1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one

[Synonym ]:
8-Nonylthio-2-thiotheophylline
3,7-Dihydro-1,3-dimethyl-8-(nonylthio)-2-thioxo-1H-purin-6(2H)-one
1,3-dimethyl-8-nonylsulfanyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one
1,2,3,7-Tetrahydro-1,3-dimethyl-8-(nonylthio)-2-thioxo-6H-purin-6-one

Chemical & Physical Properties

[ Density]:
1.24g/cm3

[ Boiling Point ]:
526.1ºC at 760 mmHg

[ Molecular Formula ]:
C16H26N4OS2

[ Molecular Weight ]:
354.53400

[ Flash Point ]:
272ºC

[ Exact Mass ]:
354.15500

[ PSA ]:
113.00000

[ LogP ]:
4.17230

[ Index of Refraction ]:
1.616

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6330000
CHEMICAL NAME :
Theophylline, 8-nonylthio-2-thio-
CAS REGISTRY NUMBER :
4776-11-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H26-N4-O-S2
MOLECULAR WEIGHT :
354.58
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS9 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 :
18 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#04436

Related Compounds

  • 1-(5-Bromo-2-iodophenyl)-2-pyrrolidinone
  • Phenol, 4-(((4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)imino)methyl)-2-ethoxy-
  • 3-((1H-Imidazol-5-yl)methyl)-2-hydroxybenzimidohydrazide
  • 6-Ethyl-2-pyridin-2-yl-pyridin-3-ol
  • 2-[(E)-[2-(hydroxymethyl)benzimidazol-1-yl]iminomethyl]-4-nitrophenol
  • 2-Chloro-3-methyl-3h,4h-thieno[3,2-d]pyrimidin-4-one
  • Methyl (Z)-2-((1,5-dihydro-4-(3-methoxy-3-oxopropyl)-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl)-4,5,8,10a-tetrahydro-9-hydroxy-3,10a,13-trimethylpyrrolo(2,3-d)pyrrolo(2'',3'':4',5')cyclohepta(1',2':4,5)pyrrolo(1,2-a)azepine-10-propanoate
  • Cinnolin-7-ol
  • 8-Hydroxy-4-methylcinnoline
  • 2-Amino-4,6,7,8-tetrahydro-6,7-dimethyl-4-oxo-5(3H)-pteridinecarboxaldehyde
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