Basic information
- CAS
98211-68-8- Standard SMILES
CN(C)c1ccc(N=Nc2ccc(S(=O)(O)=S)cc2)cc1- InChIKey
RHXDPOAQUPVGDC-UHFFFAOYSA-N- Molecular formula
- C14H15N3O2S2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.06056908
Names & identifiers
- Preferred name
- Dimethylaminoazobenzene-4-thiosulfonate
- IUPAC
- 4-[(4-hydroxysulfonothioylphenyl)diazenyl]-N,N-dimethylaniline
- English name
- dimethylaminoazobenzene-4-thiosulfonate
- Molecular formula
- C14H15N3O2S2
- Molecular weight
- 321.42
Names & synonyms
Dab thiosulfonateDimethylaminoazobenzene-4-thiosulfonate98211-68-84-((4-(Dimethylamino)phenyl)azo)benzenesulfonothioic acidBenzenesulfonothioic acid, 4-((4-(dimethylamino)phenyl)azo)-4-[(4-hydroxysulfonothioylphenyl)diazenyl]-N,N-dimethylaniline
Database identifiers
- CAS
98211-68-8- PubChem CID
- 6913086
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Boiling point
- 510.31 · 510.310±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.294 · 1.294±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.132 · -0.132±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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