2-(Pentylthio)ethyl nicotinate

Modify Date: 2025-10-02 11:09:51

2-(Pentylthio)ethyl nicotinate Structure
2-(Pentylthio)ethyl nicotinate structure
 Common Name 2-(Pentylthio)ethyl nicotinate
CAS Number 101952-69-6 Molecular Weight 253.36000
Density 1.084g/cm3 Boiling Point 368.3ºC at 760mmHg
Molecular Formula C13H19NO2S Melting Point N/A
MSDS N/A Flash Point 176.6ºC

 Names

Name 2-pentylsulfanylethyl pyridine-3-carboxylate

 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
InChIKey PFLAIDJOORTPCT-UHFFFAOYSA-N
SMILES CCCCCSCCOC(=O)c1cccnc1

 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
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