| CAS Number | 53614-69-0 |
| Catalog Number | AG01EWDT(AGN-PC-096I8O) |
| Chemical Name | 2-Phenylbenzo[b]thiophen-3(2H)-one |
| IUPAC Name | 2-phenyl-1-benzothiophen-3-one |
| InChI | InChI=1S/C14H10OS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9,14H |
| InChI Key | VWIXUROTJVJZOL-UHFFFAOYSA-N |
| MDL Number | MFCD00966892 |
| Molecular Formula | C14H10OS |
| Molecular Weight | 226.2936 |
| SMILES | O=C1C(C2=CC=CC=C2)SC3=CC=CC=C13 |
| Synonyms | 2-Phenyl-2,3-dihydro-1-benzothiophen-3-one,
53614-69-0,
Benzo[b]thiophen-3(2H)-one, 2-phenyl-,
AC1NEIFR,
CHEMBL1725446,
CTK1G0571,
DTXSID30404956,
2-phenylbenzo[b]thiophen-3(2h)-one,
AKOS000282803,
AKOS026672156,
2-phenylbenzothiophen-3-one,
2-phenyl-1-benzothiophen-3-one,
CID4617895,
MLS-0390881.0001,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.293g/mol |
| Monoisotopic Mass | 226.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number