| CAS Number | 1491133-64-2 |
| Catalog Number | AG00IMJO |
| Chemical Name | Phenanthro[1,2-b:8,7-b']dithiophene |
| IUPAC Name | 8,15-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene |
| InChI | InChI=1S/C18H10S2/c1-3-13-14-4-2-12-8-10-20-18(12)16(14)6-5-15(13)17-11(1)7-9-19-17/h1-10H |
| InChI Key | CFRRRFIZJNHSLM-UHFFFAOYSA-N |
| MDL Number | MFCD29472551 |
| Molecular Formula | C18H10S2 |
| Molecular Weight | 290.4020 |
| SMILES | S1C=CC2=C1C1=CC=C3C4=C(C=CS4)C=CC3=C1C=C2 |
| Synonyms | phenanthro[1,2-b:8,7-b']dithiophene,
1491133-64-2,
SCHEMBL19206984,
1,2:8,7-Di(epithioetheno)phenanthrene,
P2383,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.398g/mol |
| Monoisotopic Mass | 290.022g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number