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

Modify Date: 2025-09-19 12:42:47

1H-Purine-2,6-dithione,8-(hexylthio)-3,9-dihydro-1,3-dimethyl- structure	Common Name	1H-Purine-2,6-dithione,8-(hexylthio)-3,9-dihydro-1,3-dimethyl-
	CAS Number	6466-22-4	Molecular Weight	328.52000
	Density	1.34g/cm3	Boiling Point	502.9ºC at 760mmHg
	Molecular Formula	C₁₃H₂₀N₄S₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

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

Density	1.34g/cm3
Boiling Point	502.9ºC at 760mmHg
Molecular Formula	C₁₃H₂₀N₄S₃
Molecular Weight	328.52000
Exact Mass	328.08500
PSA	128.02000
LogP	4.37130
Index of Refraction	1.683

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5145000

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

CAS REGISTRY NUMBER :: 6466-22-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H20-N4-S3

MOLECULAR WEIGHT :: 328.55

WISWESSER LINE NOTATION :: T56 BM DN FNYNYJ CS6 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 :: 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#04449

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%

Theophylline,2,6-dithio-8-hexylthio

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

2,6-Dithio-8-(N-hexylthio)theophylline

Theophylline,8-(hexylthio)dithio

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