Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Theophylline, 8,8-ethylenebis[2-thio-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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1784-50-5

1784-50-5 structure

1784-50-5 structure

Name: Theophylline, 8,8-ethylenebis[2-thio-
Chemical Name: 8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
CAS Number: 1784-50-5
Molecular Formula: C₁₆H₁₈N₈O₂S₂
Molecular Weight: 418.49700
Create Date: 2016-11-20 19:06:11
Modify Date: 2024-01-11 12:33:28

Name	8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Synonyms	8,8'-ethane-1,2-diylbis(1,3-dimethyl-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one) 8,8'-Dimethylene-bis-(2-thiotheophylline) 1,3,1',3'-tetramethyl-2,2'-dithioxo-1,2,3,7(9),1',2',3',7'(9')-octahydro-8,8'-ethane-1,2-diyl-bis-purin-6-one Theophylline,8,8'-ethylenebis(2-thio 8,8'-Ethylenebis(2-thiotheophylline)

Density	1.68g/cm3
Boiling Point	787.9ºC at 760 mmHg
Molecular Formula	C₁₆H₁₈N₈O₂S₂
Molecular Weight	418.49700
Flash Point	430.3ºC
Exact Mass	418.09900
PSA	175.40000
LogP	0.75780
Vapour Pressure	8.51E-25mmHg at 25°C
Index of Refraction	1.806

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5220000

CHEMICAL NAME :: Theophylline, 8,8'-ethylenebis(2-thio-

CAS REGISTRY NUMBER :: 1784-50-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H18-N8-O2-S2

MOLECULAR WEIGHT :: 418.54

WISWESSER LINE NOTATION :: T56 BM DN FNYNVJ F1 GUS H1 C2- 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 :: 56 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#04410

HS Code	2933990090

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%