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

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Names

[ 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

Related Compounds

(NE)-N-butan-2-ylidenehydroxylamine;4-methylbenzenesulfonic acid;pyridine
4-Bromo-1-isopropyl-1H-pyrazole-3-carbonitrile
1-Propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
L-Tryptophan Isopropyl Ester Hydrochloride
2-(3-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)azetidin-3-yl)acetonitriledihydrochloride
N-(Cyclopropylmethyl)-4-(ethylsulfonyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
(4-Isopropylpyridin-3-yl)boronic acid
(R)-2-Methoxy-1-(3,4,5-trimethoxyphenyl)ethan-1-amine
(S)-2-Methoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
2-Chloro-5-(cyclobutyloxy)-3-fluoropyridine

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