1-(1,3-Benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-(1,3-Benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid
• CAS No.: 863669-59-4
• Molecular Formula: C15H17NO2S
• Molecular Weight: 275.37
• European Community (EC) Number: 830-302-5
• DSSTox Substance ID: DTXSID401218571
• Mol file: 863669-59-4.mol

Synonyms:1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid;863669-59-4;1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylic acid;1-(benzo[d]thiazol-2-ylmethyl)cyclohexanecarboxylic acid;1-[(1,3-benzothiazol-2-yl)methyl]cyclohexane-1-carboxylic acid;DTXSID401218571;BBL010819;MFCD07339179;STK624076;AKOS002683089;NCGC00329022-01;VS-02695;CS-0456580;EN300-14261;AB00741552-01;AB00741552-03;SR-01000074477;1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid;J-502836;SR-01000074477-1;Z99599694;1-(benzo[d]thiazol-2-ylmethyl)cyclohexanecarboxylicacid;1-(Benzo[d]thiazol-2-ylmethyl)cyclohexane-1-carboxylic acid

Chemical Property of 1-(1,3-Benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid

Chemical Property:

• Boiling Point: 451.6±18.0 °C(Predicted)
• PKA: 4.36±0.20(Predicted)
• Density: 1.297±0.06 g/cm3(Predicted)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 275.09799996
• Heavy Atom Count: 19
• Complexity: 341

Purity/Quality:

97%min ^*data from raw suppliers

1-(1,3-BENZOTHIAZOL-2-YLMETHYL)CYCLOHEXANECARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)O