5-Bromobenzoxazole-2(3H)-thione - CAS 439607-87-1
Catalog: |
BB025504 |
Product Name: |
5-Bromobenzoxazole-2(3H)-thione |
CAS: |
439607-87-1 |
Synonyms: |
5-bromo-3H-1,3-benzoxazole-2-thione; 5-bromo-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 5-bromo-3H-1,3-benzoxazole-2-thione |
Description: | 5-Bromobenzoxazole-2(3H)-thione (CAS# 439607-87-1) is a useful research chemical. |
Molecular Weight: | 230.08 |
Molecular Formula: | C7H4BrNOS |
Canonical SMILES: | C1=CC2=C(C=C1Br)NC(=S)O2 |
InChI: | InChI=1S/C7H4BrNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11) |
InChI Key: | YFFBNUPHVZYFQL-UHFFFAOYSA-N |
MDL: | MFCD08447020 |
LogP: | 2.87900 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-10683308-B2 | Rapamycin analogs and uses thereof | 20150911 |
US-2019031683-A1 | Rapamycin analogs and uses thereof | 20150911 |
WO-2017044720-A1 | Rapamycin analogs and uses thereof | 20150911 |
EP-3020718-A1 | Novel pde4 inhibitor | 20130710 |
EP-3020718-B1 | Novel pde4 inhibitor | 20130710 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.91970 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.91970 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 53.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Benzoxazole/Benzothiazole
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