4-Chlorobenzene-1,2-dithiol
Basic information
- CAS
52821-52-0- Standard SMILES
Sc1ccc(Cl)cc1S- InChIKey
XMZZASCUDWYKRM-UHFFFAOYSA-N- Molecular formula
- C6H5ClS2
- Average molar mass
- 176.7 g/mol
- Monoisotopic mass
- 175.9521202
Names & identifiers
- Preferred name
- 4-Chlorobenzene-1,2-dithiol
- IUPAC
- 4-chlorobenzene-1,2-dithiol
Names & synonyms
4-chlorobenzene-1,2-dithiol52821-52-0DTXSID50317433RefChem:292094DTXCID90268556NSC3155411-Chlor-3,4-dimercaptobenzolSCHEMBL3054170SCHEMBL29497656NSC-315541
Database identifiers
- CAS
52821-52-0- PubChem CID
- 330041
- DTXSID
DTXSID50317433
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…