Cas no 67828-33-5 (monosodium 2-aminobenzothiazole-6-carboxylate)
67828-33-5 structure
Product Name:monosodium 2-aminobenzothiazole-6-carboxylate
CAS No:67828-33-5
MF:C8H5N2NaO2S
MW:216.192270994186
CID:967230
PubChem ID:23675861
Update Time:2025-04-19
monosodium 2-aminobenzothiazole-6-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- monosodium 2-aminobenzothiazole-6-carboxylate
- 2-Amino-6-benzothiazolecarboxylic acid, sodium salt
- 6-Benzothiazolecarboxylic acid, 2-amino-, monosodium salt
- 6-Benzothiazolecarboxylic acid, 2-amino-, sodium salt (1:1)
- sodium 2-amino-1,3-benzothiazole-6-carboxylate
- 67828-33-5
- EINECS 267-256-5
- DTXSID9070660
- NS00087367
- 6-Benzothiazolecarboxylic acid, 2-amino-, sodium salt
- MIOQTAOQNAUMOI-UHFFFAOYSA-M
-
- Inchi： 1S/C8H6N2O2S.Na/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8;/h1-3H,(H2,9,10)(H,11,12);/q;+1/p-1
- InChI Key： MIOQTAOQNAUMOI-UHFFFAOYSA-M
- SMILES： S1C(N)=NC2C=CC(C(=O)[O-])=CC1=2.[Na+]
Computed Properties
- Exact Mass: 215.99705
- Monoisotopic Mass: 215.997
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 229
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 107A^2
Experimental Properties
- Boiling Point: 466.6°C at 760 mmHg
- Flash Point: 236°C
- PSA: 79.04
monosodium 2-aminobenzothiazole-6-carboxylate Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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