| CAS Number | 1392416-39-5 |
| Catalog Number | AG00IMFW(AGN-PC-0WQULX) |
| Chemical Name | 2,8-Dimethylanthra[2,3-b:7,6-b']dithiophene |
| IUPAC Name | 7,17-dimethyl-6,18-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,16,19-nonaene |
| InChI | InChI=1S/C20H14S2/c1-11-3-17-7-13-5-14-8-18-4-12(2)22-20(18)10-16(14)6-15(13)9-19(17)21-11/h3-10H,1-2H3 |
| InChI Key | JSJKBPBSELKJQI-UHFFFAOYSA-N |
| MDL Number | MFCD29905035 |
| Molecular Formula | C20H14S2 |
| Molecular Weight | 318.4552 |
| SMILES | CC1=CC2=CC3=CC4=CC5=C(C=C4C=C3C=C2S1)SC(=C5)C |
| Synonyms | 2,8-Dimethylanthra[2,3-b:7,6-b']dithiophene,
1392416-39-5,
2,8-Dimethylanthra[2,3-b:7,6-b']dithiophene (purified by sublimation),
syn-DMADT,
D4618,
2,8-Dimethyl-1,9-dithiadicyclopenta[b,i]anthracene,
|
| Complexity | 397 |
| 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 | 7.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number