CAS: 38521-46-9
الاسم: 2-sulfanylidene-1H-pyridine-3-carboxylic acid
SMILES:
C1=CNC(=S)C(=C1)C(=O)OMolecular Processing
Molecular formula
C6H5NO2S
Molecular weight
155.18
Exact mass
155.0041
XLogP
1.44
TPSA
53.09
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
38.59
Supplementary Information
InChIKey: WYKHFQKONWMWQM-UHFFFAOYSA-N
مرادفات
2-Mercaptonicotinic acid38521-46-93-Pyridinecarboxylic acid, 1,2-dihydro-2-thioxo-EU7D859ABZDTXSID9068110RefChem:87786DTXCID9039521629-602-72-Mercaptopyridine-3-carboxylic acid2-sulfanylpyridine-3-carboxylic acid2-sulfanylidene-1H-pyridine-3-carboxylic acidMFCD000101022-Mercapto-nicotinic acid2-Mercapto-3-pyridinecarboxylic Acid2-thioxo-1,2-dihydropyridine-3-carboxylic acid2-Thionicotinic Acid2-sulfanylnicotinic acid2-sulfanylidene-1,2-dihydropyridine-3-carboxylic acid2-MercaptonicotinicacidUNII-EU7D859ABZ1,2-dihydro-2-thioxopyridine-3-carboxylic acidMnt-H2-thioxo-1H-pyridine-3-carboxylic acidMaybridge4_003766MLS000779168SCHEMBL261186SCHEMBL926824SCHEMBL1289908CHEMBL1521174SCHEMBL29382089
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