Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 6H-Purin-6-one,8-(cyclohexylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-
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6466-13-3

6466-13-3 structure

6466-13-3 structure

Name: 6H-Purin-6-one,8-(cyclohexylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-
Chemical Name: 8-cyclohexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
CAS Number: 6466-13-3
Molecular Formula: C₁₃H₁₈N₄OS₂
Molecular Weight: 310.43800
Create Date: 2017-03-23 14:30:46
Modify Date: 2025-09-28 09:23:20

Name	8-cyclohexylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Synonyms	Uric acid,8-cyclohexylthio-1,3-dimethyl-2-thio 2-Thio-8-cyclohexylthiotheophylline Theophylline,8-cyclohexylthio-2-thio

Density	1.42g/cm3
Boiling Point	528.9ºC at 760mmHg
Molecular Formula	C₁₃H₁₈N₄OS₂
Molecular Weight	310.43800
Flash Point	273.6ºC
Exact Mass	310.09200
PSA	113.00000
LogP	2.75440
Index of Refraction	1.693

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5093500

CHEMICAL NAME :: Theophylline, 8-cyclohexylthio-2-thio-

CAS REGISTRY NUMBER :: 6466-13-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H18-N4-O-S2

MOLECULAR WEIGHT :: 310.47

WISWESSER LINE NOTATION :: T56 BM DN FNYNVJ CS- AL6TJ& F1 GUS H1

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#04445

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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