Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Theobromine, 8-(octylthio)-
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Purity: 98.0%
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74039-57-9

74039-57-9 structure

74039-57-9 structure

Name: Theobromine, 8-(octylthio)-
Chemical Name: 3,7-dimethyl-8-octylsulfanylpurine-2,6-dione
CAS Number: 74039-57-9
Molecular Formula: C₁₅H₂₄N₄O₂S
Molecular Weight: 324.44200
Create Date: 2016-01-12 13:38:42
Modify Date: 2025-09-20 13:48:27

Name	3,7-dimethyl-8-octylsulfanylpurine-2,6-dione

Density	1.27g/cm3
Molecular Formula	C₁₅H₂₄N₄O₂S
Molecular Weight	324.44200
Exact Mass	324.16200
PSA	97.98000
LogP	2.41290
Index of Refraction	1.621

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH2472000

CHEMICAL NAME :: Theobromine, 8-(octylthio)-

CAS REGISTRY NUMBER :: 74039-57-9

LAST UPDATED :: 197901

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H24-N4-O2-S

MOLECULAR WEIGHT :: 324.49

WISWESSER LINE NOTATION :: T56 BN DN FNVMVJ B1 CS8 F1

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#02448

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