2-[(2-Amino-5-methoxyphenyl)dithio]-4-methoxyaniline
Completing data — refresh the page later to see the latest
Basic information
- CAS
7732-36-7- Standard SMILES
COc1ccc(N)c(SSc2cc(OC)ccc2N)c1- InChIKey
GWEVTUVEXHHEPF-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2S2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.0653201
Names & identifiers
- Preferred name
- 2-[(2-Amino-5-methoxyphenyl)dithio]-4-methoxyaniline
- IUPAC
- 2-[(2-amino-5-methoxyphenyl)disulfanyl]-4-methoxyaniline
- English name
- 2-[(2-amino-5-methoxyphenyl)dithio]-4-methoxyaniline
- Molecular formula
- C14H16N2O2S2
- Molecular weight
- 308.42
Names & synonyms
7732-36-72-[(2-amino-5-methoxyphenyl)dithio]-4-methoxyaniline2,2'-disulfanediylbis(4-methoxyaniline)2-[(2-amino-5-methoxyphenyl)disulfanyl]-4-methoxyanilineMFCD019612072-((2-amino-5-methoxyphenyl)dithio)-4-methoxyanilineSCHEMBL8360150DTXSID80396599GWEVTUVEXHHEPF-UHFFFAOYSA-NALBB-007068STK504270AKOS005171644
Show more names
2,2'-Dithiobis[4-methoxybenzenamine]Benzenamine, 2,2'-dithiobis[4-methoxy-2-(2-amino-5-methoxyphenyl)disulfanyl-4-methoxyaniline2-(2-amino-5-methoxy-phenyl)disulfanyl-4-methoxy-aniline[2-(2-amino-5-methoxy-phenyl)disulfanyl-4-methoxy-phenyl]amine
SB83019FA117846LS-02562CS-0326412G115712,2'-diamino-5,5'-di-methoxydiphenyl disulfide2-[(2-amino-5-methoxy-phenyl)disulfanyl]-4-methoxy-aniline
Database identifiers
- CAS
7732-36-7- PubChem CID
- 3800510
- DTXSID
DTXSID80396599- Nikkaji
- J1.458.294K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 82 °C · 82 °C
- Boiling point
- 469.8 · 469.8±45.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 3.84 · 3.84±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses2,2''-Dithiobis[4-methoxybenzenamine] is a byproduct in the synthesis of 2-Amino-5-methoxythiophenol (A627990), which is a chemical reagent used in the synthesis of antibacterial benzothiazepines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…