3-Chloro-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid

Base Information

• Chemical Name: 3-Chloro-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
• CAS No.: 175202-23-0
• Molecular Formula: C9H11 Cl O4 S3
• Molecular Weight: 314.82900
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70381075
• Wikidata: Q82171690
• Mol file: 175202-23-0.mol

Synonyms:175202-23-0;3-chloro-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid;3-chloro-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid;3-Chloro-4-(isopropylsulfonyl)-5-(methylthio)-thiophene-2-carboxylic acid;2-Thiophenecarboxylic acid, 3-chloro-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-;Maybridge1_004699;SCHEMBL7827421;HMS554N13;DTXSID70381075;ACBKUBNVJZHSGY-UHFFFAOYSA-N;MFCD00084959;3-chloro-5-(methylsulfanyl)-4-(propane-2-sulfonyl)thiophene-2-carboxylic acid;AKOS015908855;2-Thiophenecarboxylicacid, 3-chloro-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-;FT-0615367;A811832;W-206166;Ethyl enediaminetetraacetic acid tripotassium salt dihydrate;3-Chloro-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2carboxylic acid;3-chloro-4-isopropylsulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Chemical Property of 3-Chloro-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.88E-11mmHg at 25°C
• Melting Point: 227oC
• Boiling Point: 511oC at 760 mmHg
• Flash Point: 262.9oC
• PSA: 133.36000
• Density: 1.56g/cm3
• LogP: 4.08450
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 313.9508000
• Heavy Atom Count: 17
• Complexity: 390

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)S(=O)(=O)C1=C(SC(=C1Cl)C(=O)O)SC