2-(Pentylthio)ethyl nicotinate

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Names

[ CAS No. ]:
101952-69-6

[ Name ]:
2-(Pentylthio)ethyl nicotinate

Chemical & Physical Properties

[ Density]:
1.084g/cm3

[ Boiling Point ]:
368.3ºC at 760mmHg

[ Molecular Formula ]:
C13H19NO2S

[ Molecular Weight ]:
253.36000

[ Flash Point ]:
176.6ºC

[ Exact Mass ]:
253.11400

[ PSA ]:
64.49000

[ LogP ]:
3.16180

[ Vapour Pressure ]:
1.28E-05mmHg at 25°C

[ Index of Refraction ]:
1.527

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT1993000
CHEMICAL NAME :
Nicotinic acid, 2-(pentylthio)ethyl ester
CAS REGISTRY NUMBER :
101952-69-6
LAST UPDATED :
198609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H19-N-O2-S
MOLECULAR WEIGHT :
253.39
WISWESSER LINE NOTATION :
T6NJ CVO2S5

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 11,242,1956

Related Compounds

  • trimethyl(2-(pentylthio)ethyl)stannane
  • 4-(2-pentylsulfanylethyl)pyridine
  • S-PENTYLGLUTATHIONE
  • N-(2-pentylsulfanylethyl)phenothiazine-10-carboxamide
  • 2-chloro-N-(2-pentylsulfanylethyl)phenothiazine-10-carboxamide
  • 2-methoxy-N-(2-pentylsulfanylethyl)phenothiazine-10-carboxamide
  • 4-(2-{[(Tert-butoxy)carbonyl]amino}ethyl)-3-methylbenzoic acid
  • 4-(3-{[(Benzyloxy)carbonyl]amino}propoxy)butanoic acid
  • 4-(2-{[(Benzyloxy)carbonyl]amino}-2-methylpropoxy)butanoic acid
  • 2-({[(benzyloxy)carbonyl]amino}methyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridine-7-carboxylic acid
  • 2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-5H,6H,7H,8H-imidazo[1,2-a]pyridine-7-carboxylic acid
  • 2-({[(tert-butoxy)carbonyl]amino}methyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridine-8-carboxylic acid
  • 2-{4-[(Benzyloxy)carbonyl]-5-(trifluoromethyl)morpholin-2-yl}acetic acid
  • 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
  • 4-Methoxybicyclo[3.1.0]hexane-1-carboxylic acid
  • 2,2-Difluoro-2-(1,2,5-thiadiazol-3-yl)acetic acid
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