2-(Ethylthio)Nicotinoyl Chloride

Base Information

• Chemical Name: 2-(Ethylthio)Nicotinoyl Chloride
• CAS No.: 123116-01-8
• Molecular Formula: C8H8 Cl N O S
• Molecular Weight: 201.67
• Hs Code.: 2933399990
• European Community (EC) Number: 679-135-8
• DSSTox Substance ID: DTXSID60379082
• Wikidata: Q82168746
• Mol file: 123116-01-8.mol

Synonyms:2-(Ethylthio)Nicotinoyl Chloride;123116-01-8;2-(Ethylthio)pyridine-3-carbonyl chloride;2-ethylsulfanylpyridine-3-carbonyl chloride;2-(ethylsulfanyl)pyridine-3-carbonyl chloride;3-Pyridinecarbonylchloride, 2-(ethylthio)-;SCHEMBL5660651;2-Chlorobenzyl4-bromophenylketone;DTXSID60379082;HVBVEALTDTVCAO-UHFFFAOYSA-N;2-(ethylsulfanyl)nicotinoyl chloride;MFCD00051679;2-ethylthio-3-pyridylcarbonyl chloride;AKOS015911965;PS-10757;2-(ethylthio)nicotinoyl chloride, AldrichCPR;3-Pyridinecarbonyl chloride, 2-(ethylthio)-;CS-0321151;FT-0608805

Chemical Property of 2-(Ethylthio)Nicotinoyl Chloride

Chemical Property:

• Vapor Pressure: 0.000721mmHg at 25°C
• Melting Point: 53 °C
• Boiling Point: 307.5°Cat760mmHg
• Flash Point: 139.8°C
• PSA: 55.26000
• Density: 1.3g/cm³
• LogP: 2.57260
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.0015127
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

2-(Ethylthio)nicotinoylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 34-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=C(C=CC=N1)C(=O)Cl