Theophylline, 8,8-methylenebis(2-thio-

Modify Date: 2024-01-20 01:19:25

Theophylline, 8,8-methylenebis(2-thio- Structure
Theophylline, 8,8-methylenebis(2-thio- structure
Common Name Theophylline, 8,8-methylenebis(2-thio-
CAS Number 1915-58-8 Molecular Weight 404.47000
Density 1.73g/cm3 Boiling Point 788.7ºC at 760 mmHg
Molecular Formula C15H16N8O2S2 Melting Point N/A
MSDS N/A Flash Point 430.8ºC

 Names

Name 8-[(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)methyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.73g/cm3
Boiling Point 788.7ºC at 760 mmHg
Molecular Formula C15H16N8O2S2
Molecular Weight 404.47000
Flash Point 430.8ºC
Exact Mass 404.08400
PSA 175.40000
LogP 0.56340
Vapour Pressure 7.61E-25mmHg at 25°C
Index of Refraction 1.832

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6050000
CHEMICAL NAME :
Theophylline, 8,8'-methylenebis(2-thio-
CAS REGISTRY NUMBER :
1915-58-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H16-N8-O2-S2
MOLECULAR WEIGHT :
404.51
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ F1 GUS H1 C1- CT56 BM DN FNYNVJ 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#04409

 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,8,8'-methylenebis(2-thio
8,8'-methanediylbis(1,3-dimethyl-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one)
8,8-Methylenebis(2-thiotheophylline)
1,3,1',3'-tetramethyl-2,2'-dithioxo-1,2,3,7(9),1',2',3',7'(9')-octahydro-8,8'-methanediyl-bis-purin-6-one