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

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

CAS: 15903-66-9

Formula: C5H5NO2S

SMILES: CC1=NSC=C1C(O)=O

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

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

Composition: C (41.95%), H (3.52%), N (9.78%), O (22.35%), S (22.39%)

Molar Mass: 143.16

Atom Count: 14

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	143.004099579
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BOTUFHIAKJCIPY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.85
Topological Polar Surface Area	50.19
Polarizability	12.36
Ring Count	1
Rotatable Bond Count	1

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