4-[(4-chlorophenyl)sulfanyl]-6-[(methylsulfanyl)methyl]-2-(pyridin-4-yl)pyrimidine

4-[(4-chlorophenyl)sulfanyl]-6-[(methylsulfanyl)methyl]-2-(pyridin-4-yl)pyrimidine

CAS: 478031-42-4

Formula: C17H14ClN3S2

SMILES: CSCC1=CC(SC2=CC=C(Cl)C=C2)=NC(=N1)C1=CC=NC=C1

IUPAC: 4-[(4-chlorophenyl)sulfanyl]-6-[(methylsulfanyl)methyl]-2-(pyridin-4-yl)pyrimidine

InChI: InChI=1S/C17H14ClN3S2/c1-22-11-14-10-16(23-15-4-2-13(18)3-5-15)21-17(20-14)12-6-8-19-9-7-12/h2-10H,11H2,1H3

Composition: C (56.74%), H (3.92%), Cl (9.85%), N (11.68%), S (17.82%)

Molar Mass: 359.89

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	359.0317675
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	TZLZYDVFTJMBOD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	110.85
Topological Polar Surface Area	38.67
Polarizability	39.17
Ring Count	3
Rotatable Bond Count	5

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