4-[[(2R)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one

Names

[ CAS No. ]:
129783-67-1

[ Name ]:
4-[[(2R)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one

Chemical & Physical Properties

[ Density]:
1.11g/cm3

[ Boiling Point ]:
502.1ºC at 760 mmHg

[ Molecular Formula ]:
C19H29NO2S

[ Molecular Weight ]:
335.50400

[ Flash Point ]:
257.5ºC

[ Exact Mass ]:
335.19200

[ PSA ]:
74.63000

[ LogP ]:
4.49060

[ Vapour Pressure ]:
3.46E-12mmHg at 25°C

[ Index of Refraction ]:
1.567

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM0013200
CHEMICAL NAME :
2H-1-Benzothiopyran-5-ol, 3,4-dihydro-2,2-dimethyl-4-((2-hydroxypropyl)imino)-7 -pentyl-, (R)-
CAS REGISTRY NUMBER :
129783-67-1
LAST UPDATED :
199304
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H29-N-O2-S
MOLECULAR WEIGHT :
335.55

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 :
>1600 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: 33,2865,1990

Related Compounds

  • 2-((5-(4-bromophenyl)-1-ethyl-1H-imidazol-2-yl)thio)-N-(4-chlorophenyl)acetamide
  • 2-{2-[4-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-3-(nitromethyl)cyclopentan-1-one
  • 2-((5-(4-bromophenyl)-1-ethyl-1H-imidazol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
  • 2-(benzylthio)-5-(4-bromophenyl)-1-ethyl-1H-imidazole
  • N-(4-methoxyphenethyl)-2-(thiophene-2-sulfonamido)thiazole-4-carboxamide
  • N-(3-methoxyphenyl)-2-(4-methoxyphenylsulfonamido)thiazole-4-carboxamide
  • 5-methyl-N-(3,3,5-trimethyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-7-yl)thiophene-2-sulfonamide
  • 4-[2-Cyano-5-(furan-2-yl)penta-2,4-dienamido]benzoic acid
  • 4-Methyl-3-(nitromethyl)-2-(2-oxo-2-{4-[2-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}ethyl)cyclopentan-1-one
  • 6-[6-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
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