4-(dimethoxymethyl)-2-(methylsulfanyl)pyrimidine

4-(dimethoxymethyl)-2-(methylsulfanyl)pyrimidine

CAS: 180869-36-7

Formula: C8H12N2O2S

SMILES: COC(OC)C1=CC=NC(SC)=N1

IUPAC: 4-(dimethoxymethyl)-2-(methylsulfanyl)pyrimidine

InChI: InChI=1S/C8H12N2O2S/c1-11-7(12-2)6-4-5-9-8(10-6)13-3/h4-5,7H,1-3H3

Composition: C (47.98%), H (6.04%), N (13.99%), O (15.98%), S (16.01%)

Molar Mass: 200.26

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.061948808
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PTYFBMBIEDVSIA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.42
Topological Polar Surface Area	44.24
Polarizability	20.38
Ring Count	1
Rotatable Bond Count	4

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