protionamide
Names
[ CAS No. ]:
14222-60-7
[ Name ]:
protionamide
[Synonym ]:
2-propylpyridine-4-carbothioamide
EINECS 238-093-7
protionamide
2-Propyl-4-pyridinecarbothioamide
Propylthioisonicotinamide
4-Pyridinecarbothioamide, 2-propyl-
Prothionamide
MFCD00464119
Biological Activity
[Description]:
[Related Catalog]:
[References]
[Related Small Molecules]
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
310.4±44.0 °C at 760 mmHg
[ Melting Point ]:
140ºC
[ Molecular Formula ]:
C9H12N2S
[ Molecular Weight ]:
180.270
[ Flash Point ]:
141.5±28.4 °C
[ Exact Mass ]:
180.072113
[ PSA ]:
71.00000
[ LogP ]:
1.75
[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C
[ Index of Refraction ]:
1.607
[ Storage condition ]:
Refrigerator
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NS0650000
- CHEMICAL NAME :
- Isonicotinamide, 2-propylthio-
- CAS REGISTRY NUMBER :
- 14222-60-7
- BEILSTEIN REFERENCE NO. :
- 0118164
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C9-H12-N2-S
- MOLECULAR WEIGHT :
- 180.29
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1320 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle weakness Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 38,471,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 760 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,726,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle weakness Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 38,471,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 660 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,726,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle weakness Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 38,471,1975
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302
[ Hazard Codes ]:
Xi
[ RIDADR ]:
NONH for all modes of transport
[ HS Code ]:
2933399090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2933399090
[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Articles
Ann. Allergy Asthma Immunol. 110(2) , 118-9, (2013)
Acceptability of thioamides. II. Prothionamide.
J. Postgrad. Med. 23(4) , 181-5, (1977)
Molecular structure and vibrational spectroscopic studies of prothionamide by density functional theory.
Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 152 , 262-71, (2016)
Prothionamide (PTH) is the secondary drug used against Mycobacterium tuberculosis bacteria and leprosy. The aim of this work was to investigate the potential energy surface map, anharmonic and harmoni...