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63869-36-3

63869-36-3 structure
63869-36-3 structure

Name 4-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-1,2-dimethylbenzene
Synonyms Methanethiol,N-(3,4-dimethylbenzyl)amidino-,hydrogen thiosulfate
S-((N-(3,4-Dimethylbenzyl)amidino)methyl) hydrogen thiosulfate
s-{(2z)-2-amino-2-[(3,4-dimethylbenzyl)imino]ethyl} hydrogen sulfurothioate
Density 1.35g/cm3
Molecular Formula C11H16N2O3S2
Molecular Weight 288.38600
Exact Mass 288.06000
PSA 123.93000
LogP 3.47770
Index of Refraction 1.608

CHEMICAL IDENTIFICATION

RTECS NUMBER :
PB4910000
CHEMICAL NAME :
Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate
CAS REGISTRY NUMBER :
63869-36-3
LAST UPDATED :
199012
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H16-N2-O3-S2
MOLECULAR WEIGHT :
288.41
WISWESSER LINE NOTATION :
WSQS1YUM&M1R C1 D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 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: 15,1313,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
130 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: 15,1313,1972