2-Benzothiazol-2-yl-cyclohexanecarboxylic acid

Base Information

• Chemical Name: 2-Benzothiazol-2-yl-cyclohexanecarboxylic acid
• CAS No.: 852400-09-0
• Molecular Formula: C14H15NO2S
• Molecular Weight: 261.34
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID401248598
• Mol file: 852400-09-0.mol

Synonyms:2-Benzothiazol-2-yl-cyclohexanecarboxylic acid;852400-09-0;2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid;2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylic acid;SCHEMBL11012013;DTXSID401248598;HMS1780F22;MFCD06655498;AKOS000200749;AKOS016341379;WAY-647365;LS-08946;BB 0237649;EN300-12785;2-(2-Benzothiazolyl)cyclohexanecarboxylic acid;2-Benzothiazol-2-yl-cyclohexanecarboxylic acid;2-(Benzo[d]thiazol-2-yl)cyclohexanecarboxylicacid;SR-01000065969;2-(Benzo[d]thiazol-2-yl)cyclohexanecarboxylic acid;SR-01000065969-1;Z85923437;2-(1,3-Benzothiazol-2-yl)cyclohexanecarboxylic acid, AldrichCPR

Chemical Property of 2-Benzothiazol-2-yl-cyclohexanecarboxylic acid

Chemical Property:

• PSA: 78.43000
• LogP: 3.65470
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 261.08234989
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

98%min ^*data from raw suppliers

2-Benzothiazol-2-yl-cyclohexanecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)O