4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine

C46H59Cl3F9N9S5 — CID 158073035

About 4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine

4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine (PubChem CID 158073035) has the molecular formula C46H59Cl3F9N9S5 and a molecular weight of 1175.72 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

• Compound Name: 4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine
• PubChem CID: 158073035
• Molecular Formula: C46H59Cl3F9N9S5
• Molecular Weight: 1175.72 g/mol
• Exact Mass: 1173.24
• IUPAC Name: 4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine
• SMILES: CC(C)(C)Sc1ccnc(Cl)c1Cl.CC(C)(C)Sc1ccnc(N)c1C(F)(F)F.CC(C)(C)Sc1ccnc(N)c1Cl.CC(C)(C)Sc1cncnc1C(F)(F)F.CC(C)(C)Sc1nccnc1C(F)(F)F
• InChI: InChI=1S/C10H13F3N2S.C9H11Cl2NS.C9H13ClN2S.2C9H11F3N2S/c1-9(2,3)16-6-4-5-15-8(14)7(6)10(11,12)13;2*1-9(2,3)13-6-4-5-12-8(11)7(6)10;1-8(2,3)15-6-4-13-5-14-7(6)9(10,11)12;1-8(2,3)15-7-6(9(10,11)12)13-4-5-14-7/h4-5H,1-3H3,(H2,14,15);4-5H,1-3H3;4-5H,1-3H3,(H2,11,12);2*4-5H,1-3H3
• InChIKey: FMAQAPFYCSUIEP-UHFFFAOYSA-N
• XLogP: 17.83
• TPSA: 142.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1175.72
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine?

The IUPAC name of 4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine (CID 158073035) is 4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine.

What is the SMILES notation for 4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine?

The canonical SMILES for 4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine is CC(C)(C)Sc1ccnc(Cl)c1Cl.CC(C)(C)Sc1ccnc(N)c1C(F)(F)F.CC(C)(C)Sc1ccnc(N)c1Cl.CC(C)(C)Sc1cncnc1C(F)(F)F.CC(C)(C)Sc1nccnc1C(F)(F)F.

What is the InChIKey of 4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine?

The InChIKey is FMAQAPFYCSUIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S.C9H11Cl2NS.C9H13ClN2S.2C9H11F3N2S/c1-9(2,3)16-6-4-5-15-8(14)7(6)10(11,12)13;2*1-9(2,3)13-6-4-5-12-8(11)7(6)10;1-8(2,3)15-6-4-13-5-14-7(6)9(10,11)12;1-8(2,3)15-7-6(9(10,11)12)13-4-5-14-7/h4-5H,1-3H3,(H2,14,15);4-5H,1-3H3;4-5H,1-3H3,(H2,11,12);2*4-5H,1-3H3.

What are the key properties of 4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine?

4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine has a molecular weight of 1175.72 g/mol, XLogP of 17.83, 5 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 158073035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).