5-hydroxy-2-(methylsulfanyl)pyrimidine-4-carboxylic acid

5-hydroxy-2-(methylsulfanyl)pyrimidine-4-carboxylic acid

CAS: 74840-46-3

Formula: C6H6N2O3S

SMILES: CSC1=NC=C(O)C(=N1)C(O)=O

IUPAC: 5-hydroxy-2-(methylsulfanyl)pyrimidine-4-carboxylic acid

InChI: InChI=1S/C6H6N2O3S/c1-12-6-7-2-3(9)4(8-6)5(10)11/h2,9H,1H3,(H,10,11)

Composition: C (38.71%), H (3.25%), N (15.05%), O (25.78%), S (17.22%)

Molar Mass: 186.19

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.009913235
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	GPIIAOUGBXOZTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.29
Topological Polar Surface Area	83.31
Polarizability	16.55
Ring Count	1
Rotatable Bond Count	2

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97%	<2 Days	74840-46-3		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70