Cas no 22514-81-4 (2,6-Benzothiazoledicarboxylicacid)
22514-81-4 structure
Product Name:2,6-Benzothiazoledicarboxylicacid
CAS No:22514-81-4
MF:C9H5NO4S
MW:223.205301046371
CID:250881
PubChem ID:57375940
Update Time:2025-04-19
2,6-Benzothiazoledicarboxylicacid Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Benzothiazoledicarboxylicacid
- 2,6-Benzothiazoledicarboxylicacid(8CI)
- 1,3-benzothiazole-2,6-dicarboxylic acid
- DTXSID10725075
- 2,6-benzothiazoledicarboxylic acid
- 22514-81-4
-
- Inchi: 1S/C9H5NO4S/c11-8(12)4-1-2-5-6(3-4)15-7(10-5)9(13)14/h1-3H,(H,11,12)(H,13,14)
- InChI Key: XUCKXMYEMAOJIZ-UHFFFAOYSA-N
- SMILES: S1C(C(=O)O)=NC2C=CC(C(=O)O)=CC1=2
Computed Properties
- Exact Mass: 222.99395
- Monoisotopic Mass: 222.99392881g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 296
- 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: 1.8
- Topological Polar Surface Area: 116?2
Experimental Properties
- PSA: 87.49
2,6-Benzothiazoledicarboxylicacid Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
22514-81-4 (2,6-Benzothiazoledicarboxylicacid) Related Products
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