4-amino-3-sulfanylbenzoic acid

4-amino-3-sulfanylbenzoic acid

CAS: 14543-45-4

Formula: C7H7NO2S

SMILES: NC1=CC=C(C=C1S)C(O)=O

IUPAC: 4-amino-3-sulfanylbenzoic acid

InChI: InChI=1S/C7H7NO2S/c8-5-2-1-4(7(9)10)3-6(5)11/h1-3,11H,8H2,(H,9,10)

Composition: C (49.69%), H (4.17%), N (8.28%), O (18.91%), S (18.95%)

Molar Mass: 169.2

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	169.019749643
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	MHIJDDIBBUUVMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.02
Topological Polar Surface Area	63.32
Polarizability	16.86
Ring Count	1
Rotatable Bond Count	1

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