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Product Name: 8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
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73908-75-5

73908-75-5 structure

73908-75-5 structure

Name: 8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Chemical Name: Theophylline, (8-heptylthio)
CAS Number: 73908-75-5
Molecular Formula: C₁₄H₂₂N₄O₂S
Molecular Weight: 310.41500
Create Date: 2016-09-29 19:23:05
Modify Date: 2025-08-30 10:09:12

Name	Theophylline, (8-heptylthio)
Synonyms	8-Heptylthiotheophyline

Density	1.27g/cm3
Boiling Point	502ºC at 760 mmHg
Molecular Formula	C₁₄H₂₂N₄O₂S
Molecular Weight	310.41500
Flash Point	257.4ºC
Exact Mass	310.14600
PSA	97.98000
LogP	2.02280
Index of Refraction	1.598

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5635000

CHEMICAL NAME :: Theophylline, 8-heptylthio-

CAS REGISTRY NUMBER :: 73908-75-5

LAST UPDATED :: 197901

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H22-N4-O2-S

MOLECULAR WEIGHT :: 310.46

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ CS7 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 :: 100 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#04407

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