Thiosulfuric acid,S-[2-imino-2-[[2-(tricyclo[3.3.1.13,7]dec-1-yloxy)propyl]amino]ethyl] ester

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Names

[ CAS No. ]:
30771-86-9

[ Name ]:
Thiosulfuric acid,S-[2-imino-2-[[2-(tricyclo[3.3.1.13,7]dec-1-yloxy)propyl]amino]ethyl] ester

[Synonym ]:
S-((N-(2-(1-Adamantyloxy)-2-methylethyl)amidino)methyl) hydrogen thiosulfate
Thiosulfuric acid,S-ester with N-(2-(1-adamantyloxy)propyl)-2-mercaptoacetamidine
Methanethiol,N-(2-(1-adamantyloxy)-2-methylethyl)amidino-,hydrogen thiosulfate (ester)

Chemical & Physical Properties

[ Density]:
1.55g/cm3

[ Molecular Formula ]:
C15H26N2O4S2

[ Molecular Weight ]:
362.50800

[ Exact Mass ]:
362.13300

[ PSA ]:
133.16000

[ LogP ]:
4.03460

[ Index of Refraction ]:
1.69

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
PB4551000
CHEMICAL NAME :
Methanethiol, N-(2-(1-adamantyloxy)-2-methylethyl)amidino-, hydrogen thiosulfate (ester)
CAS REGISTRY NUMBER :
30771-86-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H26-N2-O4-S2
MOLECULAR WEIGHT :
362.55
WISWESSER LINE NOTATION :
L66 B6/B-H/DI A B- C 1B ITJ BO1Y1&MYUM&1SSWQ

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 :
60 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

Safety Information

[ HS Code ]:
2930909090

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • 3-{1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pent-4-enoyl]azetidin-3-yl}propanoic acid
  • 3-(1-{2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-pyrazol-1-yl]acetyl}azetidin-3-yl)propanoic acid
  • 3-{1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbutanoyl]azetidin-3-yl}propanoic acid
  • 3-{1-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanoyl]azetidin-3-yl}propanoic acid
  • 3-{1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methyloxolane-3-carbonyl]azetidin-3-yl}propanoic acid
  • 3-{1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopent-2-ene-1-carbonyl]azetidin-3-yl}propanoic acid
  • 3-{1-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-1,2,4-triazole-3-carbonyl]azetidin-3-yl}propanoic acid
  • 3-{1-[6-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylhexanoyl]azetidin-3-yl}propanoic acid
  • 3-{1-[(2S)-3-cyclopropyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]azetidin-3-yl}propanoic acid
  • 3-(1-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,3-thiazol-4-yl]acetyl}azetidin-3-yl)propanoic acid
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