1,2-thiazole-4-carboxylic acid

1,2-thiazole-4-carboxylic acid

CAS: 822-82-2

Formula: C4H3NO2S

SMILES: OC(=O)C1=CSN=C1

IUPAC: 1,2-thiazole-4-carboxylic acid

InChI: InChI=1S/C4H3NO2S/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7)

Composition: C (37.21%), H (2.34%), N (10.85%), O (24.78%), S (24.83%)

Molar Mass: 129.13

Atom Count: 11

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	128.988449515
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PCXTYKGTWQCNJI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	29.26
Topological Polar Surface Area	50.19
Polarizability	10.64
Ring Count	1
Rotatable Bond Count	1

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