2-Aminobenzothiazole-6-carboxylic Acid Hydrochloride - CAS 18330-76-2
Catalog: |
BB014046 |
Product Name: |
2-Aminobenzothiazole-6-carboxylic Acid Hydrochloride |
CAS: |
18330-76-2 |
Synonyms: |
2-amino-1,3-benzothiazole-6-carboxylic acid;hydrochloride; 2-amino-1,3-benzothiazole-6-carboxylic acid;hydrochloride |
IUPAC Name: | 2-amino-1,3-benzothiazole-6-carboxylic acid;hydrochloride |
Description: | 2-Aminobenzothiazole-6-carboxylic Acid Hydrochloride (CAS# 18330-76-2) is a useful research chemical. |
Molecular Weight: | 230.67 |
Molecular Formula: | C8H7ClN2O2S |
Canonical SMILES: | C1=CC2=C(C=C1C(=O)O)SC(=N2)N.Cl |
InChI: | InChI=1S/C8H6N2O2S.ClH/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8;/h1-3H,(H2,9,10)(H,11,12);1H |
InChI Key: | UTKWPETXSJOITB-UHFFFAOYSA-N |
LogP: | 2.30880 |
Publication Number | Title | Priority Date |
EP-1236712-A1 | Amidinophenylpyruvic acid derivative | 19991206 |
EP-1236712-B1 | Amidinophenylpyruvic acid derivative | 19991206 |
US-2003109547-A1 | Amidinophenylpyruvic acid derivatives | 19991206 |
US-6710056-B2 | Amidinophenylpyruvic acid derivatives | 19991206 |
US-4617399-A | 2-aminobenzothiazole 6-carbonyl chloride hydrochloride | 19850401 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.9916763 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.9916763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 104 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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