| CAS Number | 1019983-99-3 |
| Catalog Number | AG00IMFV(AGN-PC-0WQULW) |
| Chemical Name | 2,8-Dimethylanthra[2,3-b:6,7-b']dithiophene (purified by sublimation) |
| IUPAC Name | 7,17-dimethyl-6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene |
| InChI | InChI=1S/C20H14S2/c1-11-3-17-7-13-5-16-10-20-18(4-12(2)22-20)8-14(16)6-15(13)9-19(17)21-11/h3-10H,1-2H3 |
| InChI Key | HPJACFAPBXKLQA-UHFFFAOYSA-N |
| MDL Number | MFCD29905034 |
| Molecular Formula | C20H14S2 |
| Molecular Weight | 318.4552 |
| SMILES | CC1=CC2=CC3=CC4=CC5=C(C=C(S5)C)C=C4C=C3C=C2S1 |
| Synonyms | 2,8-Dimethylanthra[2,3-b:6,7-b']dithiophene,
1019983-99-3,
2,8-Dimethylanthra[2,3-b:6,7-b']dithiophene (purified by sublimation),
anti-DMADT,
SCHEMBL12796849,
D4617,
2,8-Dimethyl-1,7-dithiadicyclopenta[b,i]anthracene,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.452g/mol |
| Monoisotopic Mass | 318.054g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number