4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2(3H)-one - CAS 178688-48-7
Catalog: |
BB054645 |
Product Name: |
4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2(3H)-one |
CAS: |
178688-48-7 |
Synonyms: |
Thieno[3,2-c]pyridin-2(3H)-one, 4,5,6,7-tetrahydro-; 2H,3H,4H,5H,6H,7H-Thieno[3,2-c]pyridin-2-one |
Related CAS: | 951380-43-1 (hydrochloride)
|
IUPAC Name: | 4,5,6,7-tetrahydro-3H-thieno[3,2-c]pyridin-2-one |
Molecular Weight: | 155.22 |
Molecular Formula: | C7H9NOS |
Canonical SMILES: | C1CNCC2=C1SC(=O)C2 |
InChI: | InChI=1S/C7H9NOS/c9-7-3-5-4-8-2-1-6(5)10-7/h8H,1-4H2 |
InChI Key: | WLKLAHLNIGTZHO-UHFFFAOYSA-N |
Boiling Point: | 290.6±40.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.30±0.1 g/cm3 |
Storage: | Store at 2-8°C |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.04048508 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.04048508 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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