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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[2-(1-piperidinyl)ethyl]thio]-6-thioxo-
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6493-46-5

6493-46-5 structure

6493-46-5 structure

Name: 2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[2-(1-piperidinyl)ethyl]thio]-6-thioxo-
Chemical Name: 1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
CAS Number: 6493-46-5
Molecular Formula: C₁₄H₂₁N₅OS₂
Molecular Weight: 339.47900
Create Date: 2016-09-26 13:42:40
Modify Date: 2025-09-13 11:29:29

Name	1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
Synonyms	Theophylline,8-(2-(piperidinoethyl)thio)-6-thio Uric acid,1,3-dimethyl-8-(2-(piperidinoethyl)thio)-6-thio

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

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