Theophylline,8,8'-trimethylenebis[2-thio- (7CI,8CI)

Modify Date: 2024-04-05 11:42:40

Theophylline,8,8'-trimethylenebis[2-thio- (7CI,8CI) Structure
Theophylline,8,8'-trimethylenebis[2-thio- (7CI,8CI) structure
Common Name Theophylline,8,8'-trimethylenebis[2-thio- (7CI,8CI)
CAS Number 6466-29-1 Molecular Weight 432.52300
Density 1.63g/cm3 Boiling Point 791.3ºC at 760mmHg
Molecular Formula C17H20N8O2S2 Melting Point N/A
MSDS N/A Flash Point 432.4ºC

 Names

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

 Chemical & Physical Properties

Density 1.63g/cm3
Boiling Point 791.3ºC at 760mmHg
Molecular Formula C17H20N8O2S2
Molecular Weight 432.52300
Flash Point 432.4ºC
Exact Mass 432.11500
PSA 175.40000
LogP 1.14790
Index of Refraction 1.784

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6755000
CHEMICAL NAME :
Theophylline, 8,8'-trimethylenebis(2-thio-
CAS REGISTRY NUMBER :
6466-29-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H20-N8-O2-S2
MOLECULAR WEIGHT :
432.57
WISWESSER LINE NOTATION :
T56 BM DN FNYNVJ F1 GUS H1 C3- CT56 BN 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 :
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#01414

 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

8,8'-propane-1,3-diylbis(1,3-dimethyl-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one)
Theophylline,8,8'-trimethylenebis(2-thio
8,8'-Trimethylenebis(2-thiotheophylline)