Methyl 4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate - CAS 126522-01-8
Catalog: |
BB006595 |
Product Name: |
Methyl 4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate |
CAS: |
126522-01-8 |
Synonyms: |
methyl 4H-thieno[3,2-c]chromene-2-carboxylate |
IUPAC Name: | methyl 4H-thieno[3,2-c]chromene-2-carboxylate |
Description: | Methyl 4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate (CAS# 126522-01-8 ) is a useful research chemical. |
Molecular Weight: | 246.28 |
Molecular Formula: | C13H10O3S |
Canonical SMILES: | COC(=O)C1=CC2=C(S1)C3=CC=CC=C3OC2 |
InChI: | InChI=1S/C13H10O3S/c1-15-13(14)11-6-8-7-16-10-5-3-2-4-9(10)12(8)17-11/h2-6H,7H2,1H3 |
InChI Key: | SSWWLCIIZQNEAE-UHFFFAOYSA-N |
Boiling Point: | 435.6 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.334 g/cm3 |
MDL: | MFCD08191336 |
LogP: | 3.09410 |
Publication Number | Title | Priority Date |
EP-2714675-B1 | 4h-thieno[3,2-c]chromene-based inhibitors of notum pectinacetylesterase and methods of their use | 20110527 |
AU-2009231885-A1 | Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use | 20080331 |
AU-2009231885-B2 | Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use | 20080331 |
CA-2719032-A1 | Benzopyran and benzoxepin pi3k inhibitor compounds and methods of use | 20080331 |
CA-2719032-C | Benzopyran and benzoxepin pi3k inhibitor compounds and methods of use | 20080331 |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.03506535 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Thiophenes
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