2-Amino-5-fluoro-6-methoxybenzothiazole - CAS 134057-48-0
Catalog: |
BB007871 |
Product Name: |
2-Amino-5-fluoro-6-methoxybenzothiazole |
CAS: |
134057-48-0 |
Synonyms: |
5-fluoro-6-methoxy-1,3-benzothiazol-2-amine; 5-fluoro-6-methoxy-1,3-benzothiazol-2-amine |
IUPAC Name: | 5-fluoro-6-methoxy-1,3-benzothiazol-2-amine |
Description: | 2-Amino-5-fluoro-6-methoxybenzothiazole (CAS# 134057-48-0 ) is a useful research chemical. |
Molecular Weight: | 198.22 |
Molecular Formula: | C8H7FN2OS |
Canonical SMILES: | COC1=C(C=C2C(=C1)SC(=N2)N)F |
InChI: | InChI=1S/C8H7FN2OS/c1-12-6-3-7-5(2-4(6)9)11-8(10)13-7/h2-3H,1H3,(H2,10,11) |
InChI Key: | OIJIAORDLXFVKC-UHFFFAOYSA-N |
LogP: | 2.60740 |
Publication Number | Title | Priority Date |
US-11014898-B1 | Benzothiazepine compounds and their use as bile acid modulators | 20201204 |
US-2021171479-A1 | Benzothiazepine compounds and their use as bile acid modulators | 20191204 |
US-2021299141-A1 | Benzothiazepine compounds and their use as bile acid modulators | 20191204 |
WO-2021110887-A1 | Benzothiazepine compounds and their use as bile acid modulators | 20191204 |
US-2019367467-A1 | Benzothia(di)azepine compounds and their use as bile acid modulators | 20180605 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.02631219 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.02631219 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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