4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium)

C10H22N4O6S2 — CID 139769877

IUPAC4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium)
SMILESC[NH2+]C.C[NH2+]C.Nc1cc(N)c(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]
InChIInChI=1S/C6H8N2O6S2.2C2H7N/c7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11;2*1-3-2/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14);2*3H,1-2H3
InChIKeyDUQOKFYCXXBZJT-UHFFFAOYSA-N
MW358.44 g/mol
LogP-3.72
Rot. Bonds2

About 4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium)

4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium) (PubChem CID 139769877) has the molecular formula C10H22N4O6S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium).

Molecular Properties

Compound Name4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium)
PubChem CID139769877
Molecular FormulaC10H22N4O6S2
Molecular Weight358.44 g/mol
Exact Mass358.10
IUPAC Name4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium)
SMILESC[NH2+]C.C[NH2+]C.Nc1cc(N)c(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]
InChIInChI=1S/C6H8N2O6S2.2C2H7N/c7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11;2*1-3-2/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14);2*3H,1-2H3
InChIKeyDUQOKFYCXXBZJT-UHFFFAOYSA-N
XLogP-3.72
TPSA199.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 5-3.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dipotassium;4,6-diaminobenzene-1,3-disulfonate
CID 139977776
tripotassium;5-aminobenzene-1,2,4-trisulfonate
CID 101305566
2,5-diaminobenzenesulfonate;dimethylazanium
CID 139769765
4,6-diaminobenzene-1,3-disulfonate;bis(dibenzyl(methyl)azanium)
CID 139769812
4,6-bis(methylsulfonyl)benzene-1,3-diamine
CID 177497967
lithium 2,5-diaminobenzenesulfonate
CID 101305300
sodium 2,4-diaminobenzenesulfonate
CID 23678866
aluminum tris(2,4-diaminobenzenesulfonate)
CID 175222789
2,5-diaminobenzenesulfonate;di(propan-2-yl)azanium
CID 139769865
lithium 2-amino-5-methoxybenzenesulfonate
CID 101304006
2-amino-4-hydroxybenzenesulfonate
CID 22943018
diazanium;7-aminonaphthalene-1,3,6-trisulfonate
CID 139595142

Frequently Asked Questions

What is the IUPAC name of 4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium)?
The IUPAC name of 4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium) (CID 139769877) is 4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium).
What is the SMILES notation for 4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium)?
The canonical SMILES for 4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium) is C[NH2+]C.C[NH2+]C.Nc1cc(N)c(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].
What is the InChIKey of 4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium)?
The InChIKey is DUQOKFYCXXBZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O6S2.2C2H7N/c7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11;2*1-3-2/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14);2*3H,1-2H3.
What are the key properties of 4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium)?
4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium) has a molecular weight of 358.44 g/mol, XLogP of -3.72, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diaminobenzene-1,3-disulfonate;bis(dimethylazanium) is sourced from PubChem (CID 139769877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).