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Product Name: 1,3-dimethyl-6,8-disulfanylidene-7,9-dihydropurin-2-one
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2006-51-1

2006-51-1 structure

2006-51-1 structure

Name: 1,3-dimethyl-6,8-disulfanylidene-7,9-dihydropurin-2-one
Chemical Name: 1,3-dimethyl-6,8-bis(sulfanylidene)-7,9-dihydropurin-2-one
CAS Number: 2006-51-1
Molecular Formula: C₇H₈N₄OS₂
Molecular Weight: 228.29500
Create Date: 2016-07-19 18:16:50
Modify Date: 2024-01-28 10:40:14

Name	1,3-dimethyl-6,8-bis(sulfanylidene)-7,9-dihydropurin-2-one
Synonyms	6-Thio-8-mercaptotheophylline 8-Mercapto-1,3-dimethyl-2-oxo-6-thioxo-1,2,3,6-tetrahydro-7H-purin 8-Mercapto-6-thiotheophyllin Uric acid,3-dimethyl-6,8-dithio Theophylline,8-mercapto-6-thio 1,3-dimethyl-6,8-dithioxo-1,3,6,7,8,9-hexahydro-purin-2-one 8-Mercapto-6-thiotheophylline

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 :: XH5923000

CHEMICAL NAME :: Theophylline, 8-mercapto-6-thio-

CAS REGISTRY NUMBER :: 2006-51-1

LAST UPDATED :: 197905

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C7-H8-N4-O-S2

MOLECULAR WEIGHT :: 228.31

WISWESSER LINE NOTATION :: T56 BM DN FNVNYJ CSH F1 H1 IUS

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#04419

HS Code	2933990090

Precursor 0
DownStream 1
6505-99-3

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%