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
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

 Names

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

 Chemical & Physical Properties

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

 Toxicological Information

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
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