Basic information
- CAS
36612-28-9- Standard SMILES
CCNCC.CCNCC.O=C(O)C(SSC(C(=O)O)c1ccc(C2CCCCC2)c(Cl)c1)c1ccc(C2CCCCC2)c(Cl)c1- InChIKey
KCDZGPBNSVLSDN-UHFFFAOYSA-N- Molecular formula
- C36H54Cl2N2O4S2
- Average molar mass
- 713.9 g/mol
- Monoisotopic mass
- 712.2902059
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha,alpha'-dithiobis(3-chloro-4-cyclohexyl-, compd. with N-ethylethanamine (1:2)
- IUPAC
- 2-[[carboxy-(3-chloro-4-cyclohexylphenyl)methyl]disulfanyl]-2-(3-chloro-4-cyclohexylphenyl)acetic acid;bis(N-ethylethanamine)
Names & synonyms
36612-28-9alpha,alpha'-Di(m-chloro-p-cyclohexylphenyl)-alpha',alpha'-dithiodiacetic acid diethylammoniumRefChem:324243DTXSID109578792,2'-Disulfanediylbis[(3-chloro-4-cyclohexylphenyl)acetic acid]--N-ethylethanamine (1/2)
Database identifiers
- CAS
36612-28-9- PubChem CID
- 215874
- DTXSID
DTXSID10957879
Properties
Computed structural properties
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 679
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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