1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-8-(propylthio)- (9CI)

Modify Date: 2024-04-11 02:30:25

1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-8-(propylthio)- (9CI) structure	Common Name	1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-8-(propylthio)- (9CI)
	CAS Number	74039-58-0	Molecular Weight	254.30900
	Density	1.46g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₀H₁₄N₄O₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	3,7-dimethyl-8-propylsulfanylpurine-2,6-dione
Synonym	More Synonyms

Density	1.46g/cm3
Molecular Formula	C₁₀H₁₄N₄O₂S
Molecular Weight	254.30900
Exact Mass	254.08400
PSA	97.98000
LogP	0.46240
Index of Refraction	1.689

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH2500000

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

CAS REGISTRY NUMBER :: 74039-58-0

LAST UPDATED :: 197901

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H14-N4-O2-S

MOLECULAR WEIGHT :: 254.34

WISWESSER LINE NOTATION :: T56 BN DN FNVMVJ B1 CS3 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 :: 320 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#02446

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%

8-(Propylthio)theobromine

3,7-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione

Theobromine,8-(propylthio)