Shanghai Nianxing Industrial Co., Ltd
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Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3, 7-trimethyl-8-[ (3-methylbutyl)thio]-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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73747-35-0

73747-35-0 structure

73747-35-0 structure

Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3, 7-trimethyl-8-[ (3-methylbutyl)thio]-
Chemical Name: 1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
CAS Number: 73747-35-0
Molecular Formula: C₁₃H₂₀N₄O₂S
Molecular Weight: 296.38900
Create Date: 2016-09-23 17:01:24
Modify Date: 2025-09-17 20:30:10

Name	1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
Synonyms	8-(Isopentylthio)caffeine 8-[(3-methylbutyl)sulfanyl]caffeine CAFFEINE,8-(ISOPENTYLTHIO)

Density	1.3g/cm3
Boiling Point	467.2ºC at 760 mmHg
Molecular Formula	C₁₃H₂₀N₄O₂S
Molecular Weight	296.38900
Flash Point	236.3ºC
Exact Mass	296.13100
PSA	87.12000
LogP	1.10890
Index of Refraction	1.631

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EV6570000

CHEMICAL NAME :: Caffeine, 8-(isopentylthio)-

CAS REGISTRY NUMBER :: 73747-35-0

LAST UPDATED :: 197901

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H20-N4-O2-S

MOLECULAR WEIGHT :: 296.43

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1 CS2Y1&1 F1 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 :: 32 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#02443

4921-49-7 structure

4921-49-7

541-31-1 structure

541-31-1

~36%

73747-35-0 structure

73747-35-0

Literature: Booysen, Hermanus P.; Moraal, Christina; Terre'Blanche, Gisella; Petzer, Anel; Bergh, Jacobus J.; Petzer, Jacobus P. Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 24 p. 7507 - 7518

Precursor 2
4921-49-7 541-31-1
DownStream 0

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