Methyl 2-Aminobenzothiazole-7-carboxylate - CAS 209459-11-0
Catalog: |
BB016447 |
Product Name: |
Methyl 2-Aminobenzothiazole-7-carboxylate |
CAS: |
209459-11-0 |
Synonyms: |
2-amino-1,3-benzothiazole-7-carboxylic acid methyl ester; methyl 2-amino-1,3-benzothiazole-7-carboxylate |
IUPAC Name: | methyl 2-amino-1,3-benzothiazole-7-carboxylate |
Description: | Methyl 2-aminobenzo[d]thiazole-7-carboxylate was used a a reactant in the creation of spirocyclic hydantoin antagonists of LFA-1. |
Molecular Weight: | 208.24 |
Molecular Formula: | C9H8N2O2S |
Canonical SMILES: | COC(=O)C1=C2C(=CC=C1)N=C(S2)N |
InChI: | InChI=1S/C9H8N2O2S/c1-13-8(12)5-3-2-4-6-7(5)14-9(10)11-6/h2-4H,1H3,(H2,10,11) |
InChI Key: | JIASYIASCIMIOB-UHFFFAOYSA-N |
Boiling Point: | 378.379 ℃ at 760 mmHg |
Density: | 1.422 g/cm3 |
MDL: | MFCD09263762 |
LogP: | 2.24630 |
Publication Number | Title | Priority Date |
EP-3484878-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
JP-2019528247-A | Bicyclic heteroaryl substituted compounds | 20160714 |
KR-20190027385-A | Bicyclic heteroaryl substituted compounds | 20160714 |
US-2019292176-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
WO-2018013774-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.03064868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 93.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS