6-(Difluoromethoxy)-1,3-benzothiazol-2-amine - CAS 235101-34-5
Catalog: |
BB046521 |
Product Name: |
6-(Difluoromethoxy)-1,3-benzothiazol-2-amine |
CAS: |
235101-34-5 |
Synonyms: |
6-(difluoromethoxy)benzo[d]thiazol-2-amine; 6-(difluoromethoxy)benzothiazole-2-ylamine |
IUPAC Name: | 6-(difluoromethoxy)-1,3-benzothiazol-2-amine |
Description: | 6-(Difluoromethoxy)-1,3-benzothiazol-2-amine (CAS# 235101-34-5 ) is a useful research chemical. |
Molecular Weight: | 216.21 |
Molecular Formula: | C8H6F2N2OS |
Canonical SMILES: | C1=CC2=C(C=C1OC(F)F)SC(=N2)N |
InChI: | InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)14-8(11)12-5/h1-3,7H,(H2,11,12) |
InChI Key: | PUXOOQNLQPZQFB-UHFFFAOYSA-N |
Boiling Point: | 339.9±50.0 °C (Predicted) |
Density: | 1.503±0.06 g/cm3 (Predicted) |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.01689032 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.01689032 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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