Cas no 19989-69-6 (2-phenyl-1,3-benzothiazole-6-carboxylic Acid)
19989-69-6 structure
Product Name:2-phenyl-1,3-benzothiazole-6-carboxylic Acid
CAS No:19989-69-6
MF:C14H9NO2S
MW:255.291762113571
CID:1391331
PubChem ID:620459
Update Time:2025-04-20
2-phenyl-1,3-benzothiazole-6-carboxylic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-phenyl-1,3-benzothiazole-6-carboxylic Acid
- 2-Phenylbenzothiazole-6-carboxylic acid
- 6-carboxy-2-phenylbenzothiazole
- 2-Phenyl-benzothiazol-6-carbonsaeure
- HMS2560P14
- HMS1492L08
- STK179612
- ChemDiv3_006938
- 2-phenyl-benzothiazole-6-carboxylic acid
- SureCN121572
- AC1LDL3B
- 2-phenyl-6-Benzothiazolecarboxylic acid
- 19989-69-6
- BBL031051
- SR-01000115509-1
- SCHEMBL121572
- DTXSID70347353
- CCG-120329
- DA-18846
- VS-10205
- cid_620459
- SR-01000115509
- MLS000585901
- BDBM49605
- 2-Phenyl-1,3-benzothiazole-6-carboxylic acid #
- AKOS000296452
- SMR000207682
- CHEMBL1500923
- IDI1_024848
-
- Inchi： 1S/C14H9NO2S/c16-14(17)10-6-7-11-12(8-10)18-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,16,17)
- InChI Key： SUBZYLZMYNBQLW-UHFFFAOYSA-N
- SMILES： S1C(C2C=CC=CC=2)=NC2C=CC(C(=O)O)=CC1=2
Computed Properties
- Exact Mass: 255.03547
- Monoisotopic Mass: 255.03539970g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 317
- 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: 3.8
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 50.19
2-phenyl-1,3-benzothiazole-6-carboxylic Acid Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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