Basic information
- CAS
118-86-5- Standard SMILES
Nc1ccc(Sc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1- InChIKey
CHBFUBKXMBQCKO-UHFFFAOYSA-N- Molecular formula
- C12H12N2O6S3
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 375.98574963
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2,2'-thiobis(5-amino-
- IUPAC
- 5-amino-2-(4-amino-2-sulfophenyl)sulfanylbenzenesulfonic acid
- English name
- 2,2'-thiobis(5-aminobenzenesulphonic) acid
- Molecular formula
- C12H12N2O6S3
- Molecular weight
- 376.43
Names & synonyms
Benzenesulfonic acid, 2,2'-thiobis[5-amino-6,6'-Thiodimetanilic acidMetanilic acid, 6,6'-thiodi-NSC 7838EINECS 204-281-2DTXSID8059479Benzenesulfonic acid, 2,2'-thiobis(5-amino-RefChem:564046DTXCID8033439Metanilic acid, 6,6'-thiodi-(8CI)118-86-5Thioanilinedisulfonic acid
Show more names
6,6'-thiodi-Metanilic acidBis(4-amino-2-sulfophenyl) sulfideBis(2-sulfo-4-aminophenyl) sulfide4,4'-Diamino[thiobisbenzene]-2,2'-disulfonic acid5,5'-Diamino[2,2'-thiobisbenzene]-1,1'-disulfonic acid2-(2-sulfo-4-aminophenylthio)-5-aminobenzenesulfonic acid5-amino-2-[(4-amino-2-sulfo-phenyl)thio]benzenesulfonic acid
5-amino-2-(4-amino-2-sulfophenyl)sulfanylbenzenesulfonic acidNSC-78382,2/'-thiobis(5-aminobenzenesulphonic) acid2,2'-Thiobis[5-aminobenzenesulfonic acid]2,2'-Thiobis(5-aminobenzenesulphonic) acid2,2'-THIOBIS(5-AMINOBENZENESULFONIC ACID)Metanilic acid,6'-thiodi-TKZ75C8HD2
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Density
- 1.84 · 1.84±0.1 g/cm3(Predicted)
- pka
- -1.91 · -1.91±0.50(Predicted)
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2,2'-thiobis[5-amino- (118-86-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2,2'-thiobis[5-amino-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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