Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate

Base Information

• Chemical Name: Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate
• CAS No.: 175277-22-2
• Molecular Formula: C10H10 N2 O3 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20372554
• Wikidata: Q27183039
• ChEMBL ID: CHEMBL1521853
• Mol file: 175277-22-2.mol

Synonyms:175277-22-2;methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate;methyl 5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylate;METHYL 3-CYANO-2-MERCAPTO-6-(METHOXYMETHYL)PYRIDINE-5-CARBOXYLATE;METHYL 5-CYANO-2-(METHOXYMETHYL)-6-SULFANYLPYRIDINE-3-CARBOXYLATE;Maybridge4_004527;HMS2804C07;MLS000833973;CHEMBL1521853;DTXSID20372554;CHEBI:105318;SYPFPQUWMZYAMG-UHFFFAOYSA-N;HMS1533N17;CCG-254899;SMR000461492;Q27183039;5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylic acid methyl ester

Chemical Property of Methyl 5-cyano-6-mercapto-2-(methoxymethyl)nicotinate

Chemical Property:

• PSA: 111.01000
• LogP: 1.17498
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 238.04121336
• Heavy Atom Count: 16
• Complexity: 442

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC1=C(C=C(C(=S)N1)C#N)C(=O)OC

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