methyl 2-(methylsulfanyl)pyrimidine-5-carboxylate

methyl 2-(methylsulfanyl)pyrimidine-5-carboxylate

CAS: 38275-41-1

Formula: C7H8N2O2S

SMILES: COC(=O)C1=CN=C(SC)N=C1

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

InChI: InChI=1S/C7H8N2O2S/c1-11-6(10)5-3-8-7(12-2)9-4-5/h3-4H,1-2H3

Composition: C (45.64%), H (4.38%), N (15.21%), O (17.37%), S (17.40%)

Molar Mass: 184.21

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.03064868
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PSYRMEZGAWNWHV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.45
Topological Polar Surface Area	52.08
Polarizability	17.93
Ring Count	1
Rotatable Bond Count	3

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