Theophylline, 8-mercapto-2-thio-

Modify Date: 2024-01-12 11:22:32

Theophylline, 8-mercapto-2-thio- Structure
Theophylline, 8-mercapto-2-thio- structure
 Common Name Theophylline, 8-mercapto-2-thio-
CAS Number 1784-68-5 Molecular Weight 228.29500
Density 1.67g/cm3 Boiling Point 306.7ºC at 760 mmHg
Molecular Formula C7H8N4OS2 Melting Point N/A
MSDS N/A Flash Point 139.3ºC

 Names

Name 1,3-dimethyl-2,8-bis(sulfanylidene)-7,9-dihydropurin-6-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.67g/cm3
Boiling Point 306.7ºC at 760 mmHg
Molecular Formula C7H8N4OS2
Molecular Weight 228.29500
Flash Point 139.3ºC
Exact Mass 228.01400
PSA 122.69000
LogP 0.99220
Vapour Pressure 0.000761mmHg at 25°C
Index of Refraction 1.816

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5922500
CHEMICAL NAME :
Theophylline, 8-mercapto-2-thio-
CAS REGISTRY NUMBER :
1784-68-5
LAST UPDATED :
197905
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H8-N4-O-S2
MOLECULAR WEIGHT :
228.31
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ CSH 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#04416

 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

8-Mercapto-thiotheophyllin
2-Thio-8-mercaptotheophylline
8-mercapto-2-thiotheophylline
Theophylline,8-mercapto-2-thio
1,3-dimethyl-2,8-dithioxo-1,2,3,7,8,9-hexahydro-purin-6-one
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