2-((4-(1,3-Dimethyl-2,6-dioxopurin-7-yl)butyl)amino)ethanethiol, hydro gen sulfate (ester)

Modify Date: 2024-04-08 11:57:24

2-((4-(1,3-Dimethyl-2,6-dioxopurin-7-yl)butyl)amino)ethanethiol, hydro gen sulfate (ester) structure	Common Name	2-((4-(1,3-Dimethyl-2,6-dioxopurin-7-yl)butyl)amino)ethanethiol, hydro gen sulfate (ester)
	CAS Number	38920-53-5	Molecular Weight	391.46600
	Density	1.55g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₃H₂₁N₅O₅S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	2-((4-(1,3-Dimethyl-2,6-dioxopurin-7-yl)butyl)amino)ethanethiol, hydro gen sulfate (ester)

Density	1.55g/cm3
Molecular Formula	C₁₃H₂₁N₅O₅S₂
Molecular Weight	391.46600
Exact Mass	391.09800
PSA	161.90000
LogP	0.81120
Index of Refraction	1.68

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KJ1053000

CHEMICAL NAME :: Ethanethiol, 2-((4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butyl)amino)- , hydrogen sulfate (ester)

CAS REGISTRY NUMBER :: 38920-53-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H21-N5-O5-S2

MOLECULAR WEIGHT :: 391.51

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B4M2SSWQ F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 15,968,1972