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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-propen-1-ylthio)-6-thioxo-
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6493-39-6

6493-39-6 structure

6493-39-6 structure

Name: 2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-(2-propen-1-ylthio)-6-thioxo-
Chemical Name: 1,3-dimethyl-8-prop-2-enylsulfanyl-6-sulfanylidene-7H-purin-2-one
CAS Number: 6493-39-6
Molecular Formula: C₁₀H₁₂N₄OS₂
Molecular Weight: 268.35800
Create Date: 2017-10-29 18:02:32
Modify Date: 2025-09-09 15:38:35

Name	1,3-dimethyl-8-prop-2-enylsulfanyl-6-sulfanylidene-7H-purin-2-one
Synonyms	Uric acid,8-allylthio-1,3-dimethyl-6-thio 6-Thio-8-allylthiotheophylline Theophylline,8-allylthio-6-thio

Density	1.46g/cm3
Boiling Point	462.7ºC at 760mmHg
Molecular Formula	C₁₀H₁₂N₄OS₂
Molecular Weight	268.35800
Flash Point	233.6ºC
Exact Mass	268.04500
PSA	113.00000
LogP	1.60770
Index of Refraction	1.713

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH3865000

CHEMICAL NAME :: Theophylline, 8-allylthio-6-thio-

CAS REGISTRY NUMBER :: 6493-39-6

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H12-N4-O-S2

MOLECULAR WEIGHT :: 268.38

WISWESSER LINE NOTATION :: T56 BM DN FNVNYJ CS2U1 F1 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#04438

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%

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