5-Methoxybenzothiophene-2-carbaldehyde - CAS 622864-56-6
Catalog: |
BB031503 |
Product Name: |
5-Methoxybenzothiophene-2-carbaldehyde |
CAS: |
622864-56-6 |
Synonyms: |
5-methoxy-1-benzothiophene-2-carboxaldehyde; 5-methoxy-1-benzothiophene-2-carbaldehyde |
IUPAC Name: | 5-methoxy-1-benzothiophene-2-carbaldehyde |
Description: | 5-Methoxybenzothiophene-2-carbaldehyde (CAS# 622864-56-6) is a useful research chemical. |
Molecular Weight: | 192.23 |
Molecular Formula: | C10H8O2S |
Canonical SMILES: | COC1=CC2=C(C=C1)SC(=C2)C=O |
InChI: | InChI=1S/C10H8O2S/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-6H,1H3 |
InChI Key: | BUOLMHIRVKNQJJ-UHFFFAOYSA-N |
Boiling Point: | 343.412 °C at 760 mmHg |
Density: | 1.293 g/cm3 |
LogP: | 2.72240 |
Publication Number | Title | Priority Date |
CN-103992310-B | One group replaces benzo heterocyclic amine derivant and preparation method thereof and the related application as IMPDH inhibitor | 20130514 |
US-2012100566-A1 | Chemiluminescent compositions, methods, assays and kits for oxidative enzymes | 20090302 |
US-2005143349-A1 | Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels | 20031217 |
CA-2483496-A1 | Inhibitors of checkpoint kinases (wee1 and chk1) | 20020426 |
EP-1501831-A1 | Inhibitors of checkpoint kinases (wee1 and chk1) | 20020426 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.02450067 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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