Theophylline, 8-(acetonylthio)-6-thio-

Modify Date: 2022-06-16 10:28:08

Theophylline, 8-(acetonylthio)-6-thio- Structure
Theophylline, 8-(acetonylthio)-6-thio- structure
Common Name Theophylline, 8-(acetonylthio)-6-thio-
CAS Number 6466-01-9 Molecular Weight 284.35800
Density 1.54g/cm3 Boiling Point 504.2ºC at 760 mmHg
Molecular Formula C10H12N4O2S2 Melting Point N/A
MSDS N/A Flash Point 258.7ºC

 Names

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

 Chemical & Physical Properties

Density 1.54g/cm3
Boiling Point 504.2ºC at 760 mmHg
Molecular Formula C10H12N4O2S2
Molecular Weight 284.35800
Flash Point 258.7ºC
Exact Mass 284.04000
PSA 130.07000
LogP 1.01070
Index of Refraction 1.709

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH3854500
CHEMICAL NAME :
Theophylline, 8-(acetonylthio)-6-thio-
CAS REGISTRY NUMBER :
6466-01-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H12-N4-O2-S2
MOLECULAR WEIGHT :
284.38
WISWESSER LINE NOTATION :
T56 BN DN FNVNYJ B1Y1&US 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 :
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#06856

 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

Theophylline,8-(acetonylthio)-6-thio
8-(Acetonylthio)-6-thiotheophylline