6-Fluorobenzoxazole-2(3H)-thione - CAS 145096-57-7
Catalog: |
BB009878 |
Product Name: |
6-Fluorobenzoxazole-2(3H)-thione |
CAS: |
145096-57-7 |
Synonyms: |
6-fluoro-3H-1,3-benzoxazole-2-thione; 6-fluoro-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 6-fluoro-3H-1,3-benzoxazole-2-thione |
Description: | 6-Fluorobenzoxazole-2(3H)-thione (CAS# 145096-57-7) is a useful research chemical. |
Molecular Weight: | 169.18 |
Molecular Formula: | C7H4FNOS |
Canonical SMILES: | C1=CC2=C(C=C1F)OC(=S)N2 |
InChI: | InChI=1S/C7H4FNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11) |
InChI Key: | RPTXVOBIDXKEFW-UHFFFAOYSA-N |
MDL: | MFCD18861560 |
LogP: | 2.25560 |
Publication Number | Title | Priority Date |
US-10766888-B1 | HMOX1 inducers | 20190412 |
WO-2020210339-A1 | Hmox1 inducers | 20190412 |
TW-202104211-A | Hmox1 inducers | 20190412 |
AU-2018326734-A1 | Substituted 2-azabicyclo(3.1.1)heptane and 2-azabicyclo(3.2.1)octane derivatives as orexin receptor antagonists | 20170901 |
CA-3074059-A1 | Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists | 20170901 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.99976309 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.99976309 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 53.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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