3-(Methylsulfonyl)-5-(2-thienyl)isoxazole-4-carbonitrile

Base Information

• Chemical Name: 3-(Methylsulfonyl)-5-(2-thienyl)isoxazole-4-carbonitrile
• CAS No.: 499771-08-3
• Molecular Formula: C9H6N2O3S2
• Molecular Weight: 254.29
• DSSTox Substance ID: DTXSID00384812
• Wikidata: Q82177182
• Mol file: 499771-08-3.mol

Synonyms:3-(methylsulfonyl)-5-(2-thienyl)isoxazole-4-carbonitrile;499771-08-3;3-methylsulfonyl-5-thiophen-2-yl-1,2-oxazole-4-carbonitrile;3-(Methylsulfonyl)-5-(thiophen-2-yl)isoxazole-4-carbonitrile;Maybridge3_003288;SCHEMBL20507218;DTXSID00384812;HMS1440F10;CCG-45190;IDI1_014675;FT-0613803;J-510893;SR-01000634973-1;BRD-K19036211-001-02-9;3-(methylsulfonyl)-5-(2-thienyl)isoxazole-4-carbonitrile, AldrichCPR

Chemical Property of 3-(Methylsulfonyl)-5-(2-thienyl)isoxazole-4-carbonitrile

Chemical Property:

• Vapor Pressure: 4.08E-14mmHg at 25°C
• Melting Point: 167 °C
• Refractive Index: 1.637
• Boiling Point: 594.8°Cat760mmHg
• Flash Point: 313.5°C
• PSA: 120.58000
• Density: 1.57g/cm³
• LogP: 2.75908
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 253.98198440
• Heavy Atom Count: 16
• Complexity: 408

Purity/Quality:

98%min ^*data from raw suppliers

3-(METHYLSULFONYL)-5-(2-THIENYL)ISOXAZOLE-4-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=NOC(=C1C#N)C2=CC=CS2