4-(3,4-dichlorophenoxy)-5-methoxy-2-(methylsulfanyl)pyrimidine

4-(3,4-dichlorophenoxy)-5-methoxy-2-(methylsulfanyl)pyrimidine

CAS: 338956-04-0

Formula: C12H10Cl2N2O2S

SMILES: COC1=CN=C(SC)N=C1OC1=CC(Cl)=C(Cl)C=C1

IUPAC: 4-(3,4-dichlorophenoxy)-5-methoxy-2-(methylsulfanyl)pyrimidine

InChI: InChI=1S/C12H10Cl2N2O2S/c1-17-10-6-15-12(19-2)16-11(10)18-7-3-4-8(13)9(14)5-7/h3-6H,1-2H3

Composition: C (45.44%), H (3.18%), Cl (22.35%), N (8.83%), O (10.09%), S (10.11%)

Molar Mass: 317.18

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	315.9840041
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JRVJYDABTHJSTD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.05
Topological Polar Surface Area	44.24
Polarizability	30.15
Ring Count	2
Rotatable Bond Count	4

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