Cas no 130593-22-5 (2-Benzothiazolecarboxylicacid, 6-methoxy-4-methyl-)
130593-22-5 structure
Product Name:2-Benzothiazolecarboxylicacid, 6-methoxy-4-methyl-
CAS No:130593-22-5
MF:C10H9NO3S
MW:223.248361349106
CID:102576
PubChem ID:45076952
Update Time:2025-04-18
2-Benzothiazolecarboxylicacid, 6-methoxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolecarboxylicacid, 6-methoxy-4-methyl-
- 2-Benzothiazolecarboxylicacid,6-methoxy-4-methyl-(9CI)
- 6-methoxy-4-methyl-1,3-benzothiazole-2-carboxylic acid
- DTXSID80663218
- 130593-22-5
-
- Inchi： 1S/C10H9NO3S/c1-5-3-6(14-2)4-7-8(5)11-9(15-7)10(12)13/h3-4H,1-2H3,(H,12,13)
- InChI Key： IIIOXICNDOIZNU-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=NC2=C1C=C(C=C2C)OC
Computed Properties
- Exact Mass: 223.03
- Monoisotopic Mass: 223.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 87.7A^2
- XLogP3: 2.6
2-Benzothiazolecarboxylicacid, 6-methoxy-4-methyl- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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