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4,6-dichloro-2-(propylsulfanyl)pyrimidine

4,6-dichloro-2-(propylsulfanyl)pyrimidine

CAS: 1401318-10-2

Formula: C7H8Cl2N2S

SMILES: CCCSC1=NC(Cl)=CC(Cl)=N1

IUPAC: 4,6-dichloro-2-(propylsulfanyl)pyrimidine

InChI: InChI=1S/C7H8Cl2N2S/c1-2-3-12-7-10-5(8)4-6(9)11-7/h4H,2-3H2,1H3

Composition: C (37.68%), H (3.61%), Cl (31.78%), N (12.56%), S (14.37%)

Molar Mass: 223.12

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 221.9785248
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GJSKUPWUDKTHHN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.48
Topological Polar Surface Area 25.78
Polarizability 21.08
Ring Count 1
Rotatable Bond Count 3

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