tert-butyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]formate

tert-butyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]formate

CAS: 41840-28-2

Formula: C11H16N2O2S

SMILES: CC1=CC(C)=NC(SC(=O)OC(C)(C)C)=N1

IUPAC: tert-butyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]formate

InChI: InChI=1S/C11H16N2O2S/c1-7-6-8(2)13-9(12-7)16-10(14)15-11(3,4)5/h6H,1-5H3

Composition: C (54.98%), H (6.71%), N (11.66%), O (13.31%), S (13.34%)

Molar Mass: 240.32

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.093248937
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	POTDIELOEHTPJN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.86
Topological Polar Surface Area	52.08
Polarizability	25.15
Ring Count	1
Rotatable Bond Count	4

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