Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Theophylline, 8-mercapto-2-thio-
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Purity: 98.0%
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1784-68-5

1784-68-5 structure

1784-68-5 structure

Name: Theophylline, 8-mercapto-2-thio-
Chemical Name: 1,3-dimethyl-2,8-bis(sulfanylidene)-7,9-dihydropurin-6-one
CAS Number: 1784-68-5
Molecular Formula: C₇H₈N₄OS₂
Molecular Weight: 228.29500
Create Date: 2016-03-22 22:51:50
Modify Date: 2024-01-12 11:22:32

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

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

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

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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