6-Amino-7-bromobenzothiazole - CAS 769-20-0
Catalog: |
BB035752 |
Product Name: |
6-Amino-7-bromobenzothiazole |
CAS: |
769-20-0 |
Synonyms: |
7-bromo-1,3-benzothiazol-6-amine; 7-bromo-1,3-benzothiazol-6-amine |
IUPAC Name: | 7-bromo-1,3-benzothiazol-6-amine |
Description: | 6-Amino-7-bromobenzothiazole (CAS# 769-20-0) is a useful research chemical. |
Molecular Weight: | 229.10 |
Molecular Formula: | C7H5BrN2S |
Canonical SMILES: | C1=CC2=C(C(=C1N)Br)SC=N2 |
InChI: | InChI=1S/C7H5BrN2S/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,9H2 |
InChI Key: | NXVRHVCMVAAPCY-UHFFFAOYSA-N |
Boiling Point: | 359.3 °C at 760 mmHg |
Density: | 1.836 g/cm3 |
MDL: | MFCD03426350 |
LogP: | 3.22220 |
Publication Number | Title | Priority Date |
US-2021078994-A1 | MTA-Cooperative PRMT5 Inhibitors | 20190912 |
US-2021079003-A1 | MTA-Cooperative PRMT5 Inhibitors | 20190912 |
WO-2021050915-A1 | Mta-cooperative prmt5 inhibitors | 20190912 |
US-2018111916-A1 | Stk4 inhibitors for treatment of hematologic malignancies | 20150331 |
WO-2016161145-A1 | Stk4 inhibitors for treatment of hematologic malignancies | 20150331 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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