6493-40-9

6493-40-9 structure
6493-40-9 structure

Name 8-butan-2-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Density 1.39g/cm3
Boiling Point 467.9ºC at 760mmHg
Molecular Formula C11H16N4OS2
Molecular Weight 284.40100
Flash Point 236.8ºC
Exact Mass 284.07700
PSA 113.00000
LogP 2.22020
Index of Refraction 1.671

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5059000
CHEMICAL NAME :
Theophylline, 8-(sec-butylthio)-6-thio-
CAS REGISTRY NUMBER :
6493-40-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H16-N4-O-S2
MOLECULAR WEIGHT :
284.43
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS1Y1&1 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 :
56 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#04440
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%
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