2-(4-Chlorophenylthio)benzaldehyde - CAS 107572-07-6
Catalog: |
BB002105 |
Product Name: |
2-(4-Chlorophenylthio)benzaldehyde |
CAS: |
107572-07-6 |
Synonyms: |
2-(4-chlorophenyl)sulfanylbenzaldehyde |
IUPAC Name: | 2-(4-chlorophenyl)sulfanylbenzaldehyde |
Description: | 2-(4-Chlorophenylthio)benzaldehyde (CAS# 107572-07-6) is a useful research chemical. |
Molecular Weight: | 248.72? |
Molecular Formula: | C13H9ClOS |
Canonical SMILES: | C1=CC=C(C(=C1)C=O)SC2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C13H9ClOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H |
InChI Key: | CQKLAEUCMKGSEQ-UHFFFAOYSA-N |
Boiling Point: | 102-104 °C (14 torr) |
Melting Point: | 72 °C |
Purity: | 95 % |
Density: | 1.31 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00051766 |
LogP: | 4.30370 |
Publication Number | Title | Priority Date |
US-2013072468-A1 | Substituted piperazines as cb1 antagonists | 20110915 |
US-2014121213-A1 | Voltage-gated sodium channel blockers | 20110706 |
WO-2013006596-A1 | Voltage-gated sodium channel blockers | 20110706 |
EP-2526945-A1 | New CRTH2 Antagonists | 20110525 |
US-2013023541-A1 | Voltage-gated sodium channel blockers | 20100114 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.0062638 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.0062638 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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