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6493-29-4

6493-29-4 structure
6493-29-4 structure

Name 8-butylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Synonyms 8-n-Butylthio-6-thiotheophyllin
8-n-Butylthio-6-thiotheophylline
8-butylsulfanyl-1,3-dimethyl-6-thioxo-1,3,6,7(9)-tetrahydro-purin-2-one
6-Thio-8-N-butylthiotheophylline
Theophylline,8-butylthio-6-thio
Uric acid,8-butylthio-1,3-dimethyl-6-thio
Density 1.39g/cm3
Boiling Point 481ºC at 760mmHg
Molecular Formula C11H16N4OS2
Molecular Weight 284.40100
Flash Point 244.7ºC
Exact Mass 284.07700
PSA 113.00000
LogP 2.22180
Index of Refraction 1.674

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5058000
CHEMICAL NAME :
Theophylline, 8-butylthio-6-thio-
CAS REGISTRY NUMBER :
6493-29-4
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 CS4 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 :
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#04424
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%