ethyl 4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxylate

ethyl 4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxylate

CAS: 7234-25-5

Formula: C9H12N2O2S

SMILES: CCOC(=O)C1=CN=C(SC)N=C1C

IUPAC: ethyl 4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxylate

InChI: InChI=1S/C9H12N2O2S/c1-4-13-8(12)7-5-10-9(14-3)11-6(7)2/h5H,4H2,1-3H3

Composition: C (50.93%), H (5.70%), N (13.20%), O (15.07%), S (15.10%)

Molar Mass: 212.27

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.061948808
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LJDJKDAPYUXBPE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.79
Topological Polar Surface Area	52.08
Polarizability	21.52
Ring Count	1
Rotatable Bond Count	4

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