2-(methylsulfanyl)-4-(tributylstannyl)pyrimidine

2-(methylsulfanyl)-4-(tributylstannyl)pyrimidine

CAS: 123061-49-4

Formula: C17H32N2SSn

SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=NC(SC)=N1

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

InChI: InChI=1S/C5H5N2S.3C4H9.Sn/c1-8-5-6-3-2-4-7-5;31-3-4-2;/h2-3H,1H3;31,3-4H2,2H3;

Composition: C (49.17%), H (7.77%), N (6.75%), S (7.72%), Sn (28.59%)

Molar Mass: 415.23

Atom Count: 53

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	416.130822
Formal Charge	0
FSP3	0.76
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PTONZGYJJBJAGZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	93.57
Topological Polar Surface Area	25.78
Polarizability	40.89
Ring Count	1
Rotatable Bond Count	11

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