8-N-Butylthiotheophylline

Modify Date: 2024-09-29 05:27:49

8-N-Butylthiotheophylline structure	Common Name	8-N-Butylthiotheophylline
	CAS Number	74039-66-0	Molecular Weight	268.33500
	Density	1.37g/cm3	Boiling Point	477.7ºC at 760 mmHg
	Molecular Formula	C₁₁H₁₆N₄O₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	242.7ºC

Name	Theophylline, 8-butylthio

Density	1.37g/cm3
Boiling Point	477.7ºC at 760 mmHg
Molecular Formula	C₁₁H₁₆N₄O₂S
Molecular Weight	268.33500
Flash Point	242.7ºC
Exact Mass	268.09900
PSA	97.98000
LogP	0.85250
Index of Refraction	1.629
InChIKey	WVXHRPNRQMJLPT-UHFFFAOYSA-N
SMILES	CCCCSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5055000

CHEMICAL NAME :: Theophylline, 8-butylthio-

CAS REGISTRY NUMBER :: 74039-66-0

LAST UPDATED :: 197901

DATA ITEMS CITED :: 1

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

MOLECULAR WEIGHT :: 268.37

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ CS4 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 :: 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#04405

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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 8-N-Butylthiotheophylline
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
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