2-Amino-4,6-difluorobenzothiazole - CAS 119256-40-5
Catalog: |
BB004444 |
Product Name: |
2-Amino-4,6-difluorobenzothiazole |
CAS: |
119256-40-5 |
Synonyms: |
4,6-difluoro-1,3-benzothiazol-2-amine |
IUPAC Name: | 4,6-difluoro-1,3-benzothiazol-2-amine |
Description: | 2-Amino-4,6-difluorobenzothiazole (CAS# 119256-40-5) is a useful research chemical. |
Molecular Weight: | 186.18 |
Molecular Formula: | C7H4F2N2S |
Canonical SMILES: | C1=C(C=C2C(=C1F)N=C(S2)N)F |
InChI: | InChI=1S/C7H4F2N2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11) |
InChI Key: | DDKKXSCVPKDRRS-UHFFFAOYSA-N |
Boiling Point: | 306.8 °C at 760 mmHg |
Melting Point: | 216-220 °C |
Purity: | 95 % |
Density: | 1.591 g/cm3 |
Appearance: | White to tan crystalline powder or chunks |
MDL: | MFCD00276099 |
LogP: | 2.73790 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112423746-A | Novel anti-mycobacterial heterocyclic amides | 20180228 |
US-2021002239-A1 | Novel Antimycobacterial Heterocyclic Amides | 20180228 |
CN-109689647-A | The compound that bicyclic heteroaryl replaces | 20160714 |
EP-3484878-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
US-2019292176-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.00632563 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.00632563 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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