1H-Purine-2,6-dithione,3,9-dihydro-1,3-dimethyl-8-(methylthio)-

Modify Date: 2025-09-23 14:14:39

1H-Purine-2,6-dithione,3,9-dihydro-1,3-dimethyl-8-(methylthio)- structure	Common Name	1H-Purine-2,6-dithione,3,9-dihydro-1,3-dimethyl-8-(methylthio)-
	CAS Number	6466-20-2	Molecular Weight	258.38700
	Density	1.58g/cm3	Boiling Point	465.7ºC at 760mmHg
	Molecular Formula	C₈H₁₀N₄S₃	Melting Point	N/A
	MSDS	N/A	Flash Point	235.5ºC

Name	1,3-dimethyl-8-methylsulfanyl-7H-purine-2,6-dithione
Synonym	More Synonyms

Density	1.58g/cm3
Boiling Point	465.7ºC at 760mmHg
Molecular Formula	C₈H₁₀N₄S₃
Molecular Weight	258.38700
Flash Point	235.5ºC
Exact Mass	258.00700
PSA	128.02000
LogP	2.42080
Index of Refraction	1.799
InChIKey	OSNIQHVTMKAFJZ-UHFFFAOYSA-N
SMILES	CSc1nc2c([nH]1)c(=S)n(C)c(=S)n2C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5155000

CHEMICAL NAME :: Theophylline, 2,6-dithio-8-methylthio-

CAS REGISTRY NUMBER :: 6466-20-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H10-N4-S3

MOLECULAR WEIGHT :: 258.40

WISWESSER LINE NOTATION :: T56 BM DN FNYNYJ CS1 F1 GUS 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 :: 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#04442

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%

Uric acid,1,3-dimethyl-2,6-dithio-8-methylthio

Theophylline,2,6-dithio-8-methylthio

2,6-Dithio-8-methyltheophylline

Theophylline,8-(methylthio)dithio

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Product Name: 1H-Purine-2,6-dithione,3,9-dihydro-1,3-dimethyl-8-(methylthio)-
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