4-Fluoro-2(3H)-benzothiazolethione - CAS 154327-24-9
Catalog: |
BB076879 |
Product Name: |
4-Fluoro-2(3H)-benzothiazolethione |
CAS: |
154327-24-9 |
Synonyms: |
4-Fluoro-2-mercaptobenzothiazole; 4-Fluorobenzo[d]thiazole-2(3H)-thione; 4-Fluorobenzo[d]thiazole-2-thiol; 4-Fluorobenzothiazole-2-thiol; 4-fluoro-2,3-dihydro-1,3-benzothiazole-2-thione; 4-Fluorobenzothiazole-2(3H)-thione; 4-Fluoro-1,3-benzothiazole-2(3H)-thione; 2(3H)-Benzothiazolethione, 4-fluoro- |
IUPAC Name: | 4-fluoro-3H-1,3-benzothiazole-2-thione |
Molecular Weight: | 185.24 |
Molecular Formula: | C7H4FNS2 |
Canonical SMILES: | C1=CC(=C2C(=C1)SC(=S)N2)F |
InChI: | InChI=1S/C7H4FNS2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10) |
InChI Key: | RCIYHBWAAXQWTQ-UHFFFAOYSA-N |
Boiling Point: | 293.2±42.0°C at 760 mmHg |
Melting Point: | 187-188°C |
Purity: | 95% |
Density: | 1.55±0.1 g/cm3 |
Appearance: | Solid |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.97691964 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.97691964 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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