5-Bromo-2-pyrrolidinothiazole - CAS 933696-74-3
Catalog: |
BB071449 |
Product Name: |
5-Bromo-2-pyrrolidinothiazole |
CAS: |
933696-74-3 |
Synonyms: |
5-BROMO-2-(PYRROLIDIN-1-YL)THIAZOLE; 5-BROMO-2-PYRROLIDINOTHIAZOLE; 5-bromo-2-pyrrolidin-1-yl-1,3-thiazole; 5-Bromo-2-(1-pyrrolidinyl)thiazole |
IUPAC Name: | 5-bromo-2-pyrrolidin-1-yl-1,3-thiazole |
Description: | 5-Bromo-2-pyrrolidinothiazole |
Molecular Weight: | 233.13 |
Molecular Formula: | C7H9BrN2S |
Canonical SMILES: | C1CCN(C1)C2=NC=C(S2)Br |
InChI: | InChI=1S/C7H9BrN2S/c8-6-5-9-7(11-6)10-3-1-2-4-10/h5H,1-4H2 |
InChI Key: | ZKEGFBGVGXMOKL-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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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