Basic information
- CAS
5858-13-9- Standard SMILES
Nc1ccc(NC(=O)Nc2ccc(N)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O- InChIKey
HTCKYPGNOXCXNS-UHFFFAOYSA-N- Molecular formula
- C13H14N4O7S2
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.03039115
Names & identifiers
- Preferred name
- 3,3'-(Carbonyldiimino)bis(6-aminobenzenesulphonic) acid
- IUPAC
- 2-amino-5-[(4-amino-3-sulfophenyl)carbamoylamino]benzenesulfonic acid
- English name
- 3,3'-(carbonyldiimino)bis[6-aminobenzenesulphonic] acid
- Molecular formula
- C13H14N4O7S2
- Molecular weight
- 402.40286
Names & synonyms
5858-13-93,3'-(Carbonyldiimino)bis(6-aminobenzenesulphonic) acid2-amino-5-[(4-amino-3-sulfophenyl)carbamoylamino]benzenesulfonic acidEINECS 227-484-8SCHEMBL10487505DTXSID20207291HTCKYPGNOXCXNS-UHFFFAOYSA-NNS000339663,3'-[Carbonylbis(azanediyl)]bis(6-aminobenzene-1-sulfonic acid)1,3-Bis(3-sulfo-4-aminophenyl)urea1,3-Bis(4-amino-3-sulfophenyl)urea3,3'-(Carbonyldiimino)bis(6-aminobenzenesulfonic acid)
Show more names
5,5'-(Carbonylbisimino)bis(2-aminobenzenesulfonic acid)3,3'-(carbonyldiimino)bis[6-aminobenzenesulphonic] acidBenzenesulfonic acid, 3,3'-(carbonyldiimino)bis[6-amino-2-amino-5-[(4-amino-3-sulfo-phenyl)carbamoylamino]benzenesulfonic acid2-azanyl-5-[(4-azanyl-3-sulfo-phenyl)carbamoylamino]benzenesulfonic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 656
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [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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