2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid

Base Information

• Chemical Name: 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid
• CAS No.: 957513-35-8
• Molecular Formula: C11H11NO6S
• Molecular Weight: 285.28
• DSSTox Substance ID: DTXSID801167190
• Mol file: 957513-35-8.mol

Synonyms:ASN03576800;957513-35-8;2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid;Oprea1_545175;Oprea1_630695;DTXSID801167190;BCP09132;EX-A4721;AKOS000736686;2-[2-(1,3-Benzodioxol-5-ylamino);AC-36597;AS-16456;HY-113761;CS-0063256;SR-01000327329;SR-01000327329-1;2-[[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl]acetic acid;2-[2-(1,3-Benzodioxol-5-ylamino) -2-oxoethyl]sulfinylacetic acid;2-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methanesulfinyl}acetic acid;2-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)sulfinyl)acetic acid

Chemical Property of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid

Chemical Property:

• PKA: 2.75±0.10(Predicted)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 285.03070824
• Heavy Atom Count: 19
• Complexity: 387

Purity/Quality:

99%+, ^*data from raw suppliers

ASN03576800 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)CS(=O)CC(=O)O