4-Methylthiophene-2-carbonyl chloride - CAS 32990-47-9
Catalog: |
BB021508 |
Product Name: |
4-Methylthiophene-2-carbonyl chloride |
CAS: |
32990-47-9 |
Synonyms: |
4-methylthiophene-2-carbonyl chloride |
IUPAC Name: | 4-methylthiophene-2-carbonyl chloride |
Description: | 4-Methylthiophene-2-carbonyl chloride (CAS# 32990-47-9) is a useful research chemical. |
Molecular Weight: | 160.62 |
Molecular Formula: | C6H5ClOS |
Canonical SMILES: | CC1=CSC(=C1)C(=O)Cl |
InChI: | InChI=1S/C6H5ClOS/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3 |
InChI Key: | LUEKBBMZPLXIQR-UHFFFAOYSA-N |
Boiling Point: | 232.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.2873 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02258421 |
LogP: | 2.43550 |
Publication Number | Title | Priority Date |
WO-2020123855-A1 | Inhibitor compounds for male contraception | 20181212 |
EP-3412657-A1 | Novel irreversible bruton's tyrosine kinase inhibitor | 20160204 |
US-10669238-B2 | Irreversible bruton's tyrosine kinase inhibitor | 20160204 |
US-2019040013-A1 | Novel irreversible bruton's tyrosine kinase inhibitor | 20160204 |
WO-2017133341-A1 | Novel irreversible bruton's tyrosine kinase inhibitor | 20160204 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.9749636 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.9749636 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Thiophenes
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