4-(Benzylsulfanyl)benzaldehyde - CAS 78832-95-8
Catalog: |
BB055110 |
Product Name: |
4-(Benzylsulfanyl)benzaldehyde |
CAS: |
78832-95-8 |
Synonyms: |
4-(benzylsulfanyl)benzaldehyde; 4-benzylsulfanylbenzaldehyde; 4-(Benzylthio)benzaldehyde; Benzyl 4-formylphenyl sulfide; 4-Benzylsulfanyl-benzaldehyde; 4-(benzylsulfanyl)-benzaldehyde |
IUPAC Name: | 4-benzylsulfanylbenzaldehyde |
Description: | 4-(Benzylsulfanyl)benzaldehyde |
Molecular Weight: | 228.31 |
Molecular Formula: | C14H12OS |
Canonical SMILES: | C1=CC=C(C=C1)CSC2=CC=C(C=C2)C=O |
InChI: | InChI=1S/C14H12OS/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-10H,11H2 |
InChI Key: | NAEZWYYYMVTEIV-UHFFFAOYSA-N |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.06088618 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.06088618 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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