2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(2-methylpropyl)thio]-6-thioxo-

Modify Date: 2024-03-04 17:11:55

2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(2-methylpropyl)thio]-6-thioxo- Structure
2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(2-methylpropyl)thio]-6-thioxo- structure
Common Name 2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(2-methylpropyl)thio]-6-thioxo-
CAS Number 6493-41-0 Molecular Weight 284.40100
Density 1.39g/cm3 Boiling Point 474.1ºC at 760mmHg
Molecular Formula C11H16N4OS2 Melting Point N/A
MSDS N/A Flash Point 240.5ºC

 Names

Name 1,3-dimethyl-8-(2-methylpropylsulfanyl)-6-sulfanylidene-7H-purin-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.39g/cm3
Boiling Point 474.1ºC at 760mmHg
Molecular Formula C11H16N4OS2
Molecular Weight 284.40100
Flash Point 240.5ºC
Exact Mass 284.07700
PSA 113.00000
LogP 2.07770
Index of Refraction 1.671

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5913000
CHEMICAL NAME :
Theophylline, 8-isobutylthio-6-thio-
CAS REGISTRY NUMBER :
6493-41-0
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 :
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#04439

 Safety Information

HS Code 2933990090

 Customs

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%

 Synonyms

6-Thio-8-isobutylthiotheophylline
Theophylline,8-isobutylthio-6-thio
Uric acid,1,3-dimethyl-8-isobutylthio-6-thio
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