4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine

C118H76Cl7F24N35OS11 — CID 157252534

About 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine

4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine (PubChem CID 157252534) has the molecular formula C118H76Cl7F24N35OS11 and a molecular weight of 3057.01 g/mol. Its IUPAC name is 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine.

Molecular Properties

• Compound Name: 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
• PubChem CID: 157252534
• Molecular Formula: C118H76Cl7F24N35OS11
• Molecular Weight: 3057.01 g/mol
• Exact Mass: 3051.13
• IUPAC Name: 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
• SMILES: CSc1nc(Cl)cc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)n1.CSc1nc(Cl)cc(Sc2n[nH]c(-c3cc(C)cc(C)c3)n2)n1.Cc1cc(C)cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.Cc1cc(C)cc(-c2nc(Sc3cc(Cl)ncn3)n[nH]2)c1.FC(F)(F)c1cc(-c2nc(Sc3cc(Cl)nc(Oc4ccccc4)n3)n[nH]2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-c2nc(Sc3cc(Cl)ncn3)n[nH]2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C20H10ClF6N5OS.C20H10ClF6N5S2.C20H16ClN5S2.C15H8ClF6N5S2.C15H14ClN5S2.C14H6ClF6N5S.C14H12ClN5S/c2*21-14-9-15(29-17(28-14)33-13-4-2-1-3-5-13)34-18-30-16(31-32-18)10-6-11(19(22,23)24)8-12(7-10)20(25,26)27;1-12-8-13(2)10-14(9-12)18-24-20(26-25-18)28-17-11-16(21)22-19(23-17)27-15-6-4-3-5-7-15;1-28-12-23-9(16)5-10(24-12)29-13-25-11(26-27-13)6-2-7(14(17,18)19)4-8(3-6)15(20,21)22;1-8-4-9(2)6-10(5-8)13-19-15(21-20-13)23-12-7-11(16)17-14(18-12)22-3;15-9-4-10(23-5-22-9)27-12-24-11(25-26-12)6-1-7(13(16,17)18)3-8(2-6)14(19,20)21;1-8-3-9(2)5-10(4-8)13-18-14(20-19-13)21-12-6-11(15)16-7-17-12/h2*1-9H,(H,30,31,32);3-11H,1-2H3,(H,24,25,26);2-5H,1H3,(H,25,26,27);4-7H,1-3H3,(H,19,20,21);1-5H,(H,24,25,26);3-7H,1-2H3,(H,18,19,20)
• InChIKey: AWMSMGIUACYFTM-UHFFFAOYSA-N
• XLogP: 39.00
• TPSA: 480.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 29
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3057.01
LogP ≤ 5	39.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?

The IUPAC name of 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine (CID 157252534) is 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine.

What is the SMILES notation for 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?

The canonical SMILES for 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine is CSc1nc(Cl)cc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)n1.CSc1nc(Cl)cc(Sc2n[nH]c(-c3cc(C)cc(C)c3)n2)n1.Cc1cc(C)cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.Cc1cc(C)cc(-c2nc(Sc3cc(Cl)ncn3)n[nH]2)c1.FC(F)(F)c1cc(-c2nc(Sc3cc(Cl)nc(Oc4ccccc4)n3)n[nH]2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-c2nc(Sc3cc(Cl)ncn3)n[nH]2)cc(C(F)(F)F)c1.

What is the InChIKey of 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?

The InChIKey is AWMSMGIUACYFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF6N5OS.C20H10ClF6N5S2.C20H16ClN5S2.C15H8ClF6N5S2.C15H14ClN5S2.C14H6ClF6N5S.C14H12ClN5S/c2*21-14-9-15(29-17(28-14)33-13-4-2-1-3-5-13)34-18-30-16(31-32-18)10-6-11(19(22,23)24)8-12(7-10)20(25,26)27;1-12-8-13(2)10-14(9-12)18-24-20(26-25-18)28-17-11-16(21)22-19(23-17)27-15-6-4-3-5-7-15;1-28-12-23-9(16)5-10(24-12)29-13-25-11(26-27-13)6-2-7(14(17,18)19)4-8(3-6)15(20,21)22;1-8-4-9(2)6-10(5-8)13-19-15(21-20-13)23-12-7-11(16)17-14(18-12)22-3;15-9-4-10(23-5-22-9)27-12-24-11(25-26-12)6-1-7(13(16,17)18)3-8(2-6)14(19,20)21;1-8-3-9(2)5-10(4-8)13-18-14(20-19-13)21-12-6-11(15)16-7-17-12/h2*1-9H,(H,30,31,32);3-11H,1-2H3,(H,24,25,26);2-5H,1H3,(H,25,26,27);4-7H,1-3H3,(H,19,20,21);1-5H,(H,24,25,26);3-7H,1-2H3,(H,18,19,20).

What are the key properties of 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?

4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine has a molecular weight of 3057.01 g/mol, XLogP of 39.00, 29 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenoxypyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-phenylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloropyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine is sourced from PubChem (CID 157252534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).