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Home Sulfos 2-Aminotoluene-5-sulfonic acid

2-Aminotoluene-5-sulfonic acid

CAS No.:
98-33-9
Catalog Number:
AG00IK06
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$46
- +
5g
98%
In Stock USA
United States
$72
- +
25g
98%
In Stock USA
United States
$143
- +
100g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG00IK06
Chemical Name:
2-Aminotoluene-5-sulfonic acid
CAS Number:
98-33-9
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD00025198
IUPAC Name:
4-amino-3-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
InChI Key:
WQTCZINVPXJNEL-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C)S(=O)(=O)O
EC Number:
202-658-6
UNII:
ET833CB2KU
NSC Number:
7545
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Hexaaqua-magnesium(II) bis-[4-(3-eth-oxy-2-hydroxy-benzyl-ideneamino)-3-methyl-benzene-sulfonate]. Acta crystallographica. Section E, Structure reports online 20100401
(4-Amino-3-methyl-benzene-sulfonato)tri-μ-aqua-penta-aqua-disodium 4-amino-3-methyl-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20100201
Hexaaqua-cobalt(II) bis-(4-amino-3-methyl-benzene-sulfonate). Acta crystallographica. Section E, Structure reports online 20091201
Hexaaqua-magnesium bis-(4-amino-3-methyl-benzene-sulfonate). Acta crystallographica. Section E, Structure reports online 20091201
Properties