Thiosulfuric acid,S-[2-[[(3,4-dimethylphenyl)methyl]amino]-2-iminoethyl] ester

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Names

[ CAS No. ]:
63869-36-3

[ Name ]:
Thiosulfuric acid,S-[2-[[(3,4-dimethylphenyl)methyl]amino]-2-iminoethyl] ester

[Synonym ]:
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

Chemical & Physical Properties

[ 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

Toxicological Information

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