| CAS Number | 98251-31-1 |
| Catalog Number | AG00IMJX(AGN-PC-0WQUOJ) |
| Chemical Name | 4-Phenyldibenzothiophene |
| IUPAC Name | 4-phenyldibenzothiophene |
| InChI | InChI=1S/C18H12S/c1-2-7-13(8-3-1)14-10-6-11-16-15-9-4-5-12-17(15)19-18(14)16/h1-12H |
| InChI Key | BMCNAHBDZUYGJG-UHFFFAOYSA-N |
| MDL Number | MFCD02683728 |
| Molecular Formula | C18H12S |
| Molecular Weight | 260.3529 |
| SMILES | C1(SC2=C3C=CC=C2C4=CC=CC=C4)=C3C=CC=C1 |
| Synonyms | 4-Phenyldibenzothiophene,
104601-39-0,
BMCNAHBDZUYGJG-UHFFFAOYSA-N,
98251-31-1,
ACMC-1BRGJ,
AC1O50VD,
4-Phenyldibenzo[b,d]thiophene,
SCHEMBL2810404,
CTK0H2556,
DTXSID90423764,
ZINC2583644,
AKOS025395206,
P2510,
CID6425932,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.354g/mol |
| Monoisotopic Mass | 260.066g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number