4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid

Base Information

• Chemical Name: 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid
• CAS No.: 333352-55-9
• Molecular Formula: C10H12O5S
• Molecular Weight: 244.27
• Mol file: 333352-55-9.mol

Synonyms:4-{[(1-CARBOXYETHYL)SULFANYL]METHYL}-5-METHYL-2-FUROIC ACID;333352-55-9;4-(1-carboxyethylsulfanylmethyl)-5-methylfuran-2-carboxylic acid;4-(((2-Carboxyethyl)thio)methyl)-5-methylfuran-2-carboxylic acid;CBMicro_004019;CBKinase1_000893;CBKinase1_013293;Oprea1_155092;Oprea1_241251;HMS1679O06;SMSF0012671;4-(((1-Carboxyethyl)thio)methyl)-5-methylfuran-2-carboxylic acid;4-(1-Carboxy-ethylsulfanylmethyl)-5-methyl-furan-2-carboxylic acid;AKOS000301397;AKOS022145601;CB05849;BIM-0003910.P001;CS-0359936;BRD-A39339409-001-02-7;4-([(1-carboxyethyl)sulfanyl]methyl)-5-methyl-2-furoic acid, AldrichCPR

Chemical Property of 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 244.04054465
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

98%min ^*data from raw suppliers

4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(O1)C(=O)O)CSC(C)C(=O)O

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