Cas no 116967-65-8 (2,5-bis(1,3-benzothiazol-2-yl)terephthalic acid)
116967-65-8 structure
Product Name:2,5-bis(1,3-benzothiazol-2-yl)terephthalic acid
CAS No:116967-65-8
MF:C22H12N2O4S2
MW:432.471682548523
CID:2615037
PubChem ID:3480428
Update Time:2025-04-21
2,5-bis(1,3-benzothiazol-2-yl)terephthalic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,5-bis(1,3-benzothiazol-2-yl)terephthalic acid
- DTXSID20392873
- SR-01000390464-1
- 1,4-Benzenedicarboxylic acid, 2,5-bis(2-benzothiazolyl)-
- 116967-65-8
- AH-034/32859009
- SR-01000390464
- 2,5-di(1,3-benzothiazol-2-yl)terephthalic acid
-
- Inchi： 1S/C22H12N2O4S2/c25-21(26)13-10-12(20-24-16-6-2-4-8-18(16)30-20)14(22(27)28)9-11(13)19-23-15-5-1-3-7-17(15)29-19/h1-10H,(H,25,26)(H,27,28)
- InChI Key： GVFSIISIKBYGEO-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2N=C1C1C=C(C(=O)O)C(C2=NC3C=CC=CC=3S2)=CC=1C(=O)O
Computed Properties
- Exact Mass: 432.02384922Da
- Monoisotopic Mass: 432.02384922Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 30
- Rotatable Bond Count: 4
- Complexity: 624
- 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: 5.2
- Topological Polar Surface Area: 157?2
2,5-bis(1,3-benzothiazol-2-yl)terephthalic acid Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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