Cas no 305381-68-4 (5-Benzothiazolecarboxylicacid, 4-methyl-)
305381-68-4 structure
Product Name:5-Benzothiazolecarboxylicacid, 4-methyl-
CAS No:305381-68-4
MF:C9H7NO2S
MW:193.222380876541
CID:299972
PubChem ID:11480970
Update Time:2025-04-19
5-Benzothiazolecarboxylicacid, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Benzothiazolecarboxylicacid, 4-methyl-
- 5-Benzothiazolecarboxylicacid,4-methyl-(9CI)
- 4-methyl-1,3-benzothiazole-5-carboxylic acid
- DTXSID90467224
- 305381-68-4
- SCHEMBL6982298
- 4-methylbenzo[d]thiazole-5-carboxylic acid
- MRXKZJHMRNYCNY-UHFFFAOYSA-N
- 4-methylbenzothiazole-5-carboxylic Acid
-
- Inchi： 1S/C9H7NO2S/c1-5-6(9(11)12)2-3-7-8(5)10-4-13-7/h2-4H,1H3,(H,11,12)
- InChI Key： MRXKZJHMRNYCNY-UHFFFAOYSA-N
- SMILES： S1C=NC2=C1C=CC(C(=O)O)=C2C
Computed Properties
- Exact Mass: 193.01981
- Monoisotopic Mass: 193.01974964g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 222
- 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
- XLogP3: 2.3
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- Density: 1.430
- PSA: 50.19
5-Benzothiazolecarboxylicacid, 4-methyl- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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