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2,4-diaminobenzenesulfonic acid

2,4-diaminobenzenesulfonic acid

CAS: 88-63-1

Formula: C6H8N2O3S

SMILES: NC1=CC(N)=C(C=C1)S(O)(=O)=O

IUPAC: 2,4-diaminobenzene-1-sulfonic acid

InChI: InChI=1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)

Composition: C (38.29%), H (4.28%), N (14.89%), O (25.50%), S (17.03%)

Molar Mass: 188.2

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 188.0255633
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey JVMSQRAXNZPDHF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.08
Topological Polar Surface Area 106.41
Polarizability 17.29
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS UnitPrice
99% <10 Days 88-63-1 Quote Only