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6466-10-0

6466-10-0 structure
6466-10-0 structure

Name 8-decylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Synonyms Theophylline,8-decylthio-2-thio
8-decylsulfanyl-1,3-dimethyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one
Uric acid,8-decylthio-1,3-dimethyl-2-thio
2-Thio-8-n-decylthiotheophylline
Density 1.22g/cm3
Boiling Point 536ºC at 760mmHg
Molecular Formula C17H28N4OS2
Molecular Weight 368.56000
Flash Point 277.9ºC
Exact Mass 368.17000
PSA 113.00000
LogP 4.56240
Index of Refraction 1.609

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093900
CHEMICAL NAME :
Theophylline, 8-decylthio-2-thio-
CAS REGISTRY NUMBER :
6466-10-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H28-N4-O-S2
MOLECULAR WEIGHT :
368.61
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS10 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#04437
HS Code 2933990090
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%