| CAS Number | 28667-63-2 |
| Catalog Number | AG002W14(AGN-PC-0R4AKS) |
| Chemical Name | 3,10-Dithiatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene |
| IUPAC Name | 3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene |
| InChI | InChI=1S/C16H16S2/c1-2-14-4-3-13(1)9-17-11-15-5-7-16(8-6-15)12-18-10-14/h1-8H,9-12H2 |
| InChI Key | CUWSXVJIPZWUGC-UHFFFAOYSA-N |
| MDL Number | MFCD00191410 |
| Molecular Formula | C16H16S2 |
| Molecular Weight | 272.4282 |
| SMILES | C1SCC2=CC=C(CSCC3=CC=C1C=C3)C=C2 |
| Synonyms | 2,11-Dithia[3.3]paracyclophane,
28667-63-2,
SCHEMBL12386701,
DTXSID10481841,
MFCD00191410,
ZINC39189263,
D2210,
3,10-Dithiatricyclo[10.2.2.2(5,8)]octadeca-5,7,12,14,15,17-hexaene,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.424g/mol |
| Monoisotopic Mass | 272.069g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 50.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number