5-methoxy-2-(methylsulfanyl)-4-(phenylsulfanyl)pyrimidine

5-methoxy-2-(methylsulfanyl)-4-(phenylsulfanyl)pyrimidine

CAS: 338955-59-2

Formula: C12H12N2OS2

SMILES: COC1=CN=C(SC)N=C1SC1=CC=CC=C1

IUPAC: 5-methoxy-2-(methylsulfanyl)-4-(phenylsulfanyl)pyrimidine

InChI: InChI=1S/C12H12N2OS2/c1-15-10-8-13-12(16-2)14-11(10)17-9-6-4-3-5-7-9/h3-8H,1-2H3

Composition: C (54.52%), H (4.58%), N (10.60%), O (6.05%), S (24.25%)

Molar Mass: 264.36

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	264.039105362
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZHKWGBMOMWAOTN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.89
Topological Polar Surface Area	35.01
Polarizability	28.62
Ring Count	2
Rotatable Bond Count	4

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