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Dayang Chem (Hangzhou) Co., Ltd.
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Product Name: Theophylline, 8,8-methylenebis(2-thio-
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1915-58-8

1915-58-8 structure

1915-58-8 structure

Name: Theophylline, 8,8-methylenebis(2-thio-
Chemical Name: 8-[(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)methyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
CAS Number: 1915-58-8
Molecular Formula: C₁₅H₁₆N₈O₂S₂
Molecular Weight: 404.47000
Create Date: 2017-04-25 18:46:14
Modify Date: 2025-09-28 10:47:49

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

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

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

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%

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