Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Theobromine, 8-(butylthio)-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

74039-56-8

74039-56-8 structure

74039-56-8 structure

Name: Theobromine, 8-(butylthio)-
Chemical Name: 8-butylsulfanyl-3,7-dimethylpurine-2,6-dione
CAS Number: 74039-56-8
Molecular Formula: C₁₁H₁₆N₄O₂S
Molecular Weight: 268.33500
Create Date: 2016-07-21 14:29:48
Modify Date: 2024-01-03 08:20:26

Name	8-butylsulfanyl-3,7-dimethylpurine-2,6-dione

Density	1.41g/cm3
Molecular Formula	C₁₁H₁₆N₄O₂S
Molecular Weight	268.33500
Exact Mass	268.09900
PSA	97.98000
LogP	0.85250
Index of Refraction	1.67

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH2372000

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

CAS REGISTRY NUMBER :: 74039-56-8

LAST UPDATED :: 197901

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H16-N4-O2-S

MOLECULAR WEIGHT :: 268.37

WISWESSER LINE NOTATION :: T56 BN DN FNVMVJ B1 CS4 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 :: 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#02447