2-Thio-8-(N-octylthio)theophylline

Modify Date: 2025-08-25 15:24:43

2-Thio-8-(N-octylthio)theophylline structure	Common Name	2-Thio-8-(N-octylthio)theophylline
	CAS Number	4951-42-2	Molecular Weight	340.50700
	Density	1.26g/cm3	Boiling Point	516.5ºC at 760 mmHg
	Molecular Formula	C₁₅H₂₄N₄OS₂	Melting Point	N/A
	MSDS	N/A	Flash Point	266.1ºC

Name	1,3-dimethyl-8-octylsulfanyl-2-sulfanylidene-7H-purin-6-one
Synonym	More Synonyms

Density	1.26g/cm3
Boiling Point	516.5ºC at 760 mmHg
Molecular Formula	C₁₅H₂₄N₄OS₂
Molecular Weight	340.50700
Flash Point	266.1ºC
Exact Mass	340.13900
PSA	113.00000
LogP	3.78220
Index of Refraction	1.625
InChIKey	WUJXDMHEUKWCEC-UHFFFAOYSA-N
SMILES	CCCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

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#04435

Theophylline,8-octylthio-2-thio

2-Thio-8-(N-octylthio)theophylline

1,3-dimethyl-8-(octylsulfanyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one

8-n-Octylthio-2-thiotheophyllin

1,3-dimethyl-8-octylsulfanyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one

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