Cas no 351465-01-5 (6-Benzothiazolecarboxylicacid, 2-(hydroxymethyl)-)
351465-01-5 structure
Product Name:6-Benzothiazolecarboxylicacid, 2-(hydroxymethyl)-
CAS No:351465-01-5
MF:C9H7NO3S
MW:209.221781015396
CID:302938
PubChem ID:45077073
Update Time:2025-04-19
6-Benzothiazolecarboxylicacid, 2-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzothiazolecarboxylicacid, 2-(hydroxymethyl)-
- 6-Benzothiazolecarboxylicacid,2-(hydroxymethyl)-(9CI)
- 2-(hydroxymethyl)-1,3-benzothiazole-6-carboxylic acid
- 351465-01-5
- DTXSID70663247
-
- Inchi： 1S/C9H7NO3S/c11-4-8-10-6-2-1-5(9(12)13)3-7(6)14-8/h1-3,11H,4H2,(H,12,13)
- InChI Key： DPGFYJOGSITFDQ-UHFFFAOYSA-N
- SMILES： S1C(CO)=NC2C=CC(C(=O)O)=CC1=2
Computed Properties
- Exact Mass: 209.01471
- Monoisotopic Mass: 209.015
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 236
- 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
- Topological Polar Surface Area: 98.7A^2
- XLogP3: 1.1
Experimental Properties
- PSA: 70.42
6-Benzothiazolecarboxylicacid, 2-(hydroxymethyl)- Related Literature
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
351465-01-5 (6-Benzothiazolecarboxylicacid, 2-(hydroxymethyl)-) Related Products
- 6941-28-2(2-methyl-1,3-benzothiazole-6-carboxylic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
Recommended suppliers
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
