5-(tert-Butyl)benzoxazole-2(3H)-thione - CAS 53146-48-8
Catalog: |
BB028062 |
Product Name: |
5-(tert-Butyl)benzoxazole-2(3H)-thione |
CAS: |
53146-48-8 |
Synonyms: |
5-tert-butyl-3H-1,3-benzoxazole-2-thione; 5-tert-butyl-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 5-tert-butyl-3H-1,3-benzoxazole-2-thione |
Description: | 5-(tert-Butyl)benzoxazole-2(3H)-thione (CAS# 53146-48-8) is a useful research chemical compound. |
Molecular Weight: | 207.29 |
Molecular Formula: | C11H13NOS |
Canonical SMILES: | CC(C)(C)C1=CC2=C(C=C1)OC(=S)N2 |
InChI: | InChI=1S/C11H13NOS/c1-11(2,3)7-4-5-9-8(6-7)12-10(14)13-9/h4-6H,1-3H3,(H,12,14) |
InChI Key: | OIOGHWZPVMHTEA-UHFFFAOYSA-N |
MDL: | MFCD09259264 |
LogP: | 3.41400 |
Publication Number | Title | Priority Date |
AU-2011333772-A1 | Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy | 20101123 |
AU-2011333772-B2 | Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy | 20101123 |
CA-2817531-A1 | Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy | 20101123 |
EP-2643318-A1 | Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy | 20101123 |
FR-2967674-A1 | HETEROARYLSULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS | 20101123 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.07178521 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.07178521 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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Benzoxazole/Benzothiazole
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