4,6-dimethyl-2-sulfanylnicotinonitrile

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Names

[ CAS No. ]:
54585-47-6

[ Name ]:
4,6-dimethyl-2-sulfanylnicotinonitrile

[Synonym ]:
4,6-dimethyl-2-sulfanylnicotinonitrile
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
4,6-Dimethyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile
3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo-
MFCD00051684
3-pyridinecarbonitrile, 2-mercapto-4,6-dimethyl-
4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
249.8±43.0 °C at 760 mmHg

[ Melting Point ]:
274ºC (dec.)

[ Molecular Formula ]:
C8H8N2S

[ Molecular Weight ]:
164.227

[ Flash Point ]:
104.9±28.2 °C

[ Exact Mass ]:
164.040817

[ PSA ]:
75.48000

[ LogP ]:
1.18

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.609

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
US4201380
CHEMICAL NAME :
3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo-
CAS REGISTRY NUMBER :
54585-47-6
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H8-N2-S
MOLECULAR WEIGHT :
164.24

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 :
>2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 19,313,1985

Safety Information

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
UN 3276

[ RTECS ]:
US4201380

[ Packaging Group ]:
III

[ HS Code ]:
2933399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Cyanoethanethioamide
  • 2,4-Pentandione
  • 4,6-DIMETHYLNICOTINONITRILE
  • Thiocyanic acid carbamoylmethyl ester
  • 2-Cyano-2-cyclopentylideneethanethioamide
  • 2-cyano-2-cyclohexylideneethanethioamide
  • (E)-4-morpholinopent-3-en-2-one

DownStream

  • 1-(3-[(3-METHYLPIPERIDIN-1-YL)METHYL]PHENYL)METHANAMINE
  • 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
  • 3-Amino-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridine
  • 3-Amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide
  • 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]acetic acid
  • Thieno[2,3-b]pyridine-2-carboxylicacid, 3-amino-4,6-dimethyl-, ethyl ester
  • 2-Chloro-4,6-dimethylnicotinonitrile
  • 4,6-dimethyl-2-(methylsulfanyl)pyridine-3-carbonitrile
  • 3-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid amide
  • (3-azido-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone

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%

Related Compounds

  • 4,6-Dimethyl-2(3H)-benzofuranone
  • 4,6-dimethyl-2-oxo-5-(phenylhydrazinylidene)pyridine-3-carbonitrile
  • 4,6-dimethyl-2-(2-hydroxyethoxymethoxy)pyridine-3-carbonitrile
  • 4,6-dimethyl-2-pyridin-3-yl-5,6-dihydro-1,3,4-thiadiazine,hydrochloride
  • 4,6-Dimethyl-2-hydroxypyrimidine
  • 4,6-Dimethyl-2-pyridinecarboxylic acid
  • 4,7-Methano-5H-inden-5-one, 1,3a,4,6,7,7a-hexahydro-, oxime, (3aI+/-,4I(2),7I(2),7aI+/-)-
  • Methyl 3-fluoro-4-(neopentylamino)-5-nitrobenzoate
  • [1-(4-Bromo-3-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
  • tert-butyl N-[2-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]carbamate
  • 4-Amino-4-(5-bromo-2-fluoropyridin-3-yl)butanoic acid
  • 4-[(3-Methyl-2-nitrophenyl)methyl]piperidine
  • 1-[(3-Aminocyclobutyl)methyl]-3-(3-methylbutan-2-yl)urea
  • 1-(1-Ethoxyethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
  • 1-(But-1-en-1-yl)cyclopropan-1-ol
  • (1R)-3-amino-1-(3,4-difluoro-2-methoxyphenyl)propan-1-ol
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