Basic information
- CAS
70883-13-5- Standard SMILES
CCSc1cc(Cc2ccc(N)c(SCC)c2)ccc1N- InChIKey
HBIBQTBRVIDUFD-UHFFFAOYSA-N- Molecular formula
- C17H22N2S2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.12244106
Names & identifiers
- Preferred name
- 4,4'-Methylenebis[2-(ethylsulfanyl)aniline]
- IUPAC
- 4-[(4-amino-3-ethylsulfanylphenyl)methyl]-2-ethylsulfanylaniline
Names & synonyms
70883-13-53,3'-Di(ethylthio)-4,4'-diaminodiphenylmethane4,4'-methylenebis[2-(ethylsulfanyl)aniline]Benzenamine, 4,4'-methylenebis(2-(ethylthio)-CCRIS 8071DTXSID00991166
Database identifiers
- CAS
70883-13-5- PubChem CID
- 135482
- DTXSID
DTXSID00991166
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…