2,8-Dimethylthianthrene
Basic information
- CAS
55214-93-2- Standard SMILES
Cc1ccc2c(c1)Sc1cc(C)ccc1S2- InChIKey
XTLNLAUJNYMFIN-UHFFFAOYSA-N- Molecular formula
- C14H12S2
- Average molar mass
- 244.4 g/mol
- Monoisotopic mass
- 244.03804273
Names & identifiers
- Preferred name
- 2,8-Dimethylthianthrene
- IUPAC
- 2,8-dimethylthianthrene
Names & synonyms
2,8-dimethylthianthrene55214-93-2DTXSID20275697RefChem:248978DTXCID70227101SCHEMBL163686NS00001641Q15409393
Database identifiers
- CAS
55214-93-2- PubChem CID
- 67272
- DTXSID
DTXSID20275697
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…