1-benzothiophene-5-carbonyl chloride - CAS 1128-89-8
Catalog: |
BB003068 |
Product Name: |
1-benzothiophene-5-carbonyl chloride |
CAS: |
1128-89-8 |
Synonyms: |
1-benzothiophene-5-carbonyl chloride; 1-benzothiophene-5-carbonyl chloride |
IUPAC Name: | 1-benzothiophene-5-carbonyl chloride |
Description: | 1-benzothiophene-5-carbonyl chloride (CAS# 1128-89-8 ) is a useful research chemical. |
Molecular Weight: | 196.648 |
Molecular Formula: | C9H5ClOS |
Canonical SMILES: | C1=CC2=C(C=CS2)C=C1C(=O)Cl |
InChI: | InChI=1S/C9H5ClOS/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H |
InChI Key: | YICARPJDZQGVQC-UHFFFAOYSA-N |
Boiling Point: | 309.5 ℃ at 760 mmHg |
Density: | 1.41 g/cm3 |
MDL: | MFCD04972639 |
LogP: | 3.28030 |
Publication Number | Title | Priority Date |
WO-2009049028-A1 | Pyrrolopyrimidine compounds and their use as janus kinase modulators | 20071009 |
EP-2094677-A1 | Thiadiazole derivatives for the treatment of neuro-degenerative diseases | 20061122 |
EP-2094677-B1 | Thiadiazole derivatives for the treatment of neuro-degenerative diseases | 20061122 |
US-2010144709-A1 | Thiadiazole derivatives for the treatment of neuro-degenerative diseases | 20061122 |
US-7960556-B2 | Thiadiazole derivatives for the treatment of neuro-degenerative diseases | 20061122 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.9749636 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.9749636 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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