2-Amino-5-bromobenzothiazole - CAS 20358-03-6
Catalog: |
BB015835 |
Product Name: |
2-Amino-5-bromobenzothiazole |
CAS: |
20358-03-6 |
Synonyms: |
5-bromo-1,3-benzothiazol-2-amine |
IUPAC Name: | 5-bromo-1,3-benzothiazol-2-amine |
Description: | 2-Amino-5-bromobenzothiazole (CAS# 20358-03-6) is a chemical reagent used in the synthesis of pharmacologically active agents such as Abl kinase inhibitors for treatment of abnormal cell growth diseases or cytotoxic/anticancer agents. |
Molecular Weight: | 229.10 |
Molecular Formula: | C7H5BrN2S |
Canonical SMILES: | C1=CC2=C(C=C1Br)N=C(S2)N |
InChI: | InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10) |
InChI Key: | ZPUJTWBWSOOMRP-UHFFFAOYSA-N |
Boiling Point: | 366.8 °C at 760 mmHg |
Melting Point: | 194-198 °C |
Purity: | 96 % |
Density: | 1.836 g/cm3 |
Appearance: | White to brown solid, crystals or crystalline powder and/or chunk |
MDL: | MFCD00577806 |
LogP: | 3.22220 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113264950-A | Method for synthesizing benzothiazole [2, 3-b ] quinazoline-7, 12-diketone by catalysis of sulfonated-beta-cyclodextrin | 20210508 |
CN-112043697-A | Application of benzothiazole compound as quorum sensing inhibitor in treatment of bacterial diseases | 20200805 |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2021030620-A1 | Heterocyclic compounds as kinase inhibitors | 20190814 |
EP-3901139-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 20181219 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.93568 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.93568 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Benzoxazole/Benzothiazole
Oxazole/Thiazole
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS