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

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

CAS: 84332-06-9

Formula: C7H8N2O3S

SMILES: COC1=C(C=NC(SC)=N1)C(O)=O

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

InChI: InChI=1S/C7H8N2O3S/c1-12-5-4(6(10)11)3-8-7(9-5)13-2/h3H,1-2H3,(H,10,11)

Composition: C (41.99%), H (4.03%), N (13.99%), O (23.97%), S (16.01%)

Molar Mass: 200.21

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.0255633
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey SXNHLOFNZOTILK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.46
Topological Polar Surface Area 72.31
Polarizability 18.43
Ring Count 1
Rotatable Bond Count 3

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