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China
Product Name: 2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(3-pyridinylmethyl)thio]-6-thioxo-
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6493-44-3

6493-44-3 structure

6493-44-3 structure

Name: 2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[(3-pyridinylmethyl)thio]-6-thioxo-
Chemical Name: 1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
CAS Number: 6493-44-3
Molecular Formula: C₁₃H₁₃N₅OS₂
Molecular Weight: 319.40500
Create Date: 2017-08-05 23:54:33
Modify Date: 2025-09-25 13:46:47

Name	1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
Synonyms	Uric acid,1,3-dimethyl-8-(3-pyridylmethyl)thio-6-thio 6-Thio-8-(3'-pyridylmethyl)thiotheophylline Theophylline,8-(3-pyridylmethyl)thio-6-thio

Density	1.54g/cm3
Boiling Point	581.9ºC at 760mmHg
Molecular Formula	C₁₃H₁₃N₅OS₂
Molecular Weight	319.40500
Flash Point	305.7ºC
Exact Mass	319.05600
PSA	125.89000
LogP	2.01690
Index of Refraction	1.758

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH6497500

CHEMICAL NAME :: Theophylline, 8-(3-pyridylmethyl)thio-6-thio-

CAS REGISTRY NUMBER :: 6493-44-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H13-N5-O-S2

MOLECULAR WEIGHT :: 319.43

WISWESSER LINE NOTATION :: T56 BM DN FNVNYJ F1 H1 IUS CS1- CT6NJ

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#04455

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