Basic information
- CAS
6961-89-3- Standard SMILES
Cl.Nc1ccc(SSc2ccc(N)cc2)cc1- InChIKey
VYFBLVVILLZGTR-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2S2
- Average molar mass
- 284.8 g/mol
- Monoisotopic mass
- 284.0208685
Names & identifiers
- Preferred name
- Aniline,4'-dithiodi-, dihydrochloride
- IUPAC
- 4-[(4-aminophenyl)disulfanyl]aniline;hydrochloride
Names & synonyms
NSC62984YMYQROXDJHWZLW-UHFFFAOYSA-NAniline,4'-dithiodi-, dihydrochloride
Database identifiers
- CAS
6961-89-3- PubChem CID
- 54598564
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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