Theophylline, 8- (heptylthio)-2-thio-

Suppliers

Names

[ CAS No. ]:
4776-10-7

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

[Synonym ]:
8-(Heptylthio)-2-thiotheophylline
8-n-Heptylthio-2-thiotheophyllin
1,3-Dimethyl-2,7-dihydro-8-(heptylthio)-2-thioxo-1H-purin-6(3H)-one
8-heptylsulfanyl-1,3-dimethyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one
3,7-Dihydro-1,3-dimethyl-8-(heptylthio)-2-thioxo-1H-purin-6(2H)-one

Chemical & Physical Properties

[ Density]:
1.29g/cm3

[ Boiling Point ]:
507ºC at 760 mmHg

[ Molecular Formula ]:
C14H22N4OS2

[ Molecular Weight ]:
326.48100

[ Flash Point ]:
260.4ºC

[ Exact Mass ]:
326.12400

[ PSA ]:
113.00000

[ LogP ]:
3.39210

[ Index of Refraction ]:
1.634

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5637000
CHEMICAL NAME :
Theophylline, 8-heptylthio-2-thio-
CAS REGISTRY NUMBER :
4776-10-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H22-N4-O-S2
MOLECULAR WEIGHT :
326.52
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS7 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 :
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#04434

Related Compounds

  • Theophylline, 8-pentylthio-2-thio-
  • Theophylline, 8-mercapto-2-thio-
  • Theophylline, (8-propylthio)-2-thio-
  • Theophylline, 8-(2-aminoethyl)thio-6-thio-
  • Theophylline, 8,8-ethylenebis[2-thio-
  • Theophylline,8,8'-trimethylenebis[2-thio- (7CI,8CI)
  • rac-(1R,2R)-2-(5-propylthiophen-2-yl)cyclopropan-1-amine
  • (3S,5S)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
  • Chloromethyl 1-{[(tert-butoxy)carbonyl](cyclopropyl)amino}cyclobutane-1-carboxylate
  • O-[2-(6-chloropyridin-3-yl)-2-methylpropyl]hydroxylamine
  • 5-[6-(Propan-2-yloxy)pyridin-2-yl]-1,2-oxazol-3-amine
  • O-{[1-(6-chloropyridin-3-yl)cyclopropyl]methyl}hydroxylamine
  • Tert-butyl 4-[2-(chloromethoxy)-2-oxo-1-(thiophen-3-yl)ethyl]piperazine-1-carboxylate
  • 2-(3-Bromo-4-methylphenyl)-2-methyloxirane
  • 2-bromo-N-(4-methylpiperidin-3-yl)acetamide
  • N-{4-[(1R,2R)-2-amino-1,3-dihydroxypropyl]phenyl}prop-2-enamide
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.