2-Bromo-6,7-dihydro-4H-pyrano[4,3-d]thiazole - CAS 1093107-56-2
Catalog: |
BB071788 |
Product Name: |
2-Bromo-6,7-dihydro-4H-pyrano[4,3-d]thiazole |
CAS: |
1093107-56-2 |
Synonyms: |
2-Bromo-6,7-dihydro-4H-pyrano[4,3-d]thiazole; 2-bromo-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole |
IUPAC Name: | 2-bromo-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole |
Description: | 2-Bromo-6,7-dihydro-4H-pyrano[4,3-d]thiazole |
Molecular Weight: | 220.09 |
Molecular Formula: | C6H6BrNOS |
Canonical SMILES: | C1COCC2=C1N=C(S2)Br |
InChI: | InChI=1S/C6H6BrNOS/c7-6-8-4-1-2-9-3-5(4)10-6/h1-3H2 |
InChI Key: | WRFXNDSVRFCYJZ-UHFFFAOYSA-N |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.93535 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.93535 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 50.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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