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Home Sulfos 3,4-Diaminobenzenesulfonic acid

3,4-Diaminobenzenesulfonic acid

CAS No.:
7474-78-4
Catalog Number:
AG005TPP
Molecular Formula:
C6H8N2O3S
Molecular Weight:
188.2043
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$55
- +
10g
98%
In Stock USA
United States
$93
- +
25g
98%
In Stock USA
United States
$184
- +
100g
98%
In Stock USA
United States
$452
- +
Product Description
Catalog Number:
AG005TPP
Chemical Name:
3,4-Diaminobenzenesulfonic acid
CAS Number:
7474-78-4
Molecular Formula:
C6H8N2O3S
Molecular Weight:
188.2043
MDL Number:
MFCD00270799
IUPAC Name:
3,4-diaminobenzenesulfonic acid
InChI:
InChI=1S/C6H8N2O3S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)
InChI Key:
FKSRSWQTEJTBMI-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1N)S(=O)(=O)O
EC Number:
231-274-1
NSC Number:
401086
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.026g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
188.201g/mol
Monoisotopic Mass:
188.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Literature
Title Journal
4-Amino-3-ammonio-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20101201
Properties