4-Bromo-2-(pyrrolidin-1-yl)-1,3-thiazole - CAS 1017781-56-4
Catalog: |
BB071448 |
Product Name: |
4-Bromo-2-(pyrrolidin-1-yl)-1,3-thiazole |
CAS: |
1017781-56-4 |
Synonyms: |
4-BROMO-2-(PYRROLIDIN-1-YL)THIAZOLE; 4-BROMO-2-(PYRROLIDIN-1-YL)-1,3-THIAZOLE; 4-bromo-2-pyrrolidin-1-yl-1,3-thiazole |
IUPAC Name: | 4-bromo-2-pyrrolidin-1-yl-1,3-thiazole |
Description: | 4-Bromo-2-(pyrrolidin-1-yl)-1,3-thiazole |
Molecular Weight: | 233.13 |
Molecular Formula: | C7H9BrN2S |
Canonical SMILES: | C1CCN(C1)C2=NC(=CS2)Br |
InChI: | InChI=1S/C7H9BrN2S/c8-6-5-11-7(9-6)10-3-1-2-4-10/h5H,1-4H2 |
InChI Key: | ORTSNWTXFACJGK-UHFFFAOYSA-N |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.96698 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.96698 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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