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6466-13-3

6466-13-3 structure
6466-13-3 structure

Name 8-cyclohexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Synonyms Uric acid,8-cyclohexylthio-1,3-dimethyl-2-thio
2-Thio-8-cyclohexylthiotheophylline
Theophylline,8-cyclohexylthio-2-thio
Density 1.42g/cm3
Boiling Point 528.9ºC at 760mmHg
Molecular Formula C13H18N4OS2
Molecular Weight 310.43800
Flash Point 273.6ºC
Exact Mass 310.09200
PSA 113.00000
LogP 2.75440
Index of Refraction 1.693

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093500
CHEMICAL NAME :
Theophylline, 8-cyclohexylthio-2-thio-
CAS REGISTRY NUMBER :
6466-13-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H18-N4-O-S2
MOLECULAR WEIGHT :
310.47
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CS- AL6TJ& 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#04445
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%