sodium 4-methyl-1,3-thiazole-2-carboxylic acid

sodium 4-methyl-1,3-thiazole-2-carboxylic acid

CAS: 1185298-76-3

Formula: C5H5NNaO2S

SMILES: [Na+].CC1=CSC(=N1)C(O)=O

IUPAC: sodium 4-methyl-1,3-thiazole-2-carboxylic acid

InChI: InChI=1S/C5H5NO2S.Na/c1-3-2-9-4(6-3)5(7)8;/h2H,1H3,(H,7,8);/q;+1

Composition: C (36.15%), H (3.03%), N (8.43%), Na (13.84%), O (19.26%), S (19.30%)

Molar Mass: 166.15

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.99332028
Formal Charge	1
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	APJNZUQESGEOAB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.59
Topological Polar Surface Area	50.19
Polarizability	12.36
Ring Count	1
Rotatable Bond Count	1

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