2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[2-(1-piperidinyl)ethyl]thio]-6-thioxo-

Modify Date: 2024-01-19 11:41:31

2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[2-(1-piperidinyl)ethyl]thio]-6-thioxo- structure	Common Name	2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[2-(1-piperidinyl)ethyl]thio]-6-thioxo-
	CAS Number	6493-46-5	Molecular Weight	339.47900
	Density	1.41g/cm3	Boiling Point	546.2ºC at 760mmHg
	Molecular Formula	C₁₄H₂₁N₅OS₂	Melting Point	N/A
	MSDS	N/A	Flash Point	284.1ºC

Name	1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
Synonym	More Synonyms

Density	1.41g/cm3
Boiling Point	546.2ºC at 760mmHg
Molecular Formula	C₁₄H₂₁N₅OS₂
Molecular Weight	339.47900
Flash Point	284.1ºC
Exact Mass	339.11900
PSA	116.24000
LogP	1.84550
Index of Refraction	1.694

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH6487300

CHEMICAL NAME :: Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-

CAS REGISTRY NUMBER :: 6493-46-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H21-N5-O-S2

MOLECULAR WEIGHT :: 339.52

WISWESSER LINE NOTATION :: T56 BM DN FNVNYJ F1 H1 IUS CS2- AT6NTJ

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#04457

Theophylline,8-(2-(piperidinoethyl)thio)-6-thio

Uric acid,1,3-dimethyl-8-(2-(piperidinoethyl)thio)-6-thio