2,5-Diamino-1,4-benzenedithiol
Basic information
- CAS
15657-79-1- Standard SMILES
Nc1cc(S)c(N)cc1S- InChIKey
AHUNLCWALDZRQE-UHFFFAOYSA-N- Molecular formula
- C6H8N2S2
- Average molar mass
- 172.3 g/mol
- Monoisotopic mass
- 172.01289061
Names & identifiers
- Preferred name
- 2,5-Diamino-1,4-benzenedithiol
- IUPAC
- 2,5-diaminobenzene-1,4-dithiol
- English name
- 2,5-Dimercaptobenzene-1,4-diamine
- Molecular formula
- C6H8N2S2
- Molecular weight
- 172.27
Names & synonyms
15657-79-12,5-diamino-1,4-benzenedithiolDTXSID10404717RefChem:1060066DTXCID903555712,5-diaminobenzene-1,4-dithiol2,5-Dimercaptobenzene-1,4-diamine1,4-Benzenedithiol, 2,5-diamino-starbld0002122SCHEMBL718735SCHEMBL3476759SCHEMBL8365744
Show more names
2,5-Diamino-1,4-benzenedithiole2,5-Diamino-1,4-benzenebisthiol
2,5-diamino-1,4-dimercaptobenzene2,5-DIAMINO-1,4-BENZENE DITHIOL
Database identifiers
- CAS
15657-79-1- PubChem CID
- 4598355
- DTXSID
DTXSID10404717- Nikkaji
- J253.884I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 375.9 · 375.9±42.0 °C(Predicted)
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- pka
- 8.97 · 8.97±0.50(Predicted)
Related reactions
3 records
Compound notes
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