sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide

C56H36Cl5F22N4NaO5S4 — CID 159952798

About sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide

sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide (PubChem CID 159952798) has the molecular formula C56H36Cl5F22N4NaO5S4 and a molecular weight of 1591.41 g/mol. Its IUPAC name is sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide.

Molecular Properties

• Compound Name: sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide
• PubChem CID: 159952798
• Molecular Formula: C56H36Cl5F22N4NaO5S4
• Molecular Weight: 1591.41 g/mol
• Exact Mass: 1587.96
• IUPAC Name: sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide
• SMILES: Cc1cc(S)cc(C(F)(F)F)c1.ClCc1ccc(Cl)cn1.FC(F)(F)c1cc(SCc2ccc(Cl)cn2)cc(C(F)(F)F)c1.O=S(=O)(Cc1ccc(Cl)cn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)c1ccc(Cl)cn1.[Na+].[OH-]
• InChI: InChI=1S/C14H7ClF7NO2S.C14H8ClF6NO2S.C14H8ClF6NS.C8H7F3S.C6H5Cl2N.Na.H2O/c15-9-1-2-11(23-6-9)12(16)26(24,25)10-4-7(13(17,18)19)3-8(5-10)14(20,21)22;15-10-1-2-11(22-6-10)7-25(23,24)12-4-8(13(16,17)18)3-9(5-12)14(19,20)21;15-10-1-2-11(22-6-10)7-23-12-4-8(13(16,17)18)3-9(5-12)14(19,20)21;1-5-2-6(8(9,10)11)4-7(12)3-5;7-3-6-2-1-5(8)4-9-6;;/h1-6,12H;1-6H,7H2;1-6H,7H2;2-4,12H,1H3;1-2,4H,3H2;;1H2/q;;;;;+1;/p-1
• InChIKey: OCICTUWNRHVGHR-UHFFFAOYSA-M
• XLogP: 18.63
• TPSA: 149.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1591.41
LogP ≤ 5	18.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide?

The IUPAC name of sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide (CID 159952798) is sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide.

What is the SMILES notation for sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide?

The canonical SMILES for sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide is Cc1cc(S)cc(C(F)(F)F)c1.ClCc1ccc(Cl)cn1.FC(F)(F)c1cc(SCc2ccc(Cl)cn2)cc(C(F)(F)F)c1.O=S(=O)(Cc1ccc(Cl)cn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)c1ccc(Cl)cn1.[Na+].[OH-].

What is the InChIKey of sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide?

The InChIKey is OCICTUWNRHVGHR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H7ClF7NO2S.C14H8ClF6NO2S.C14H8ClF6NS.C8H7F3S.C6H5Cl2N.Na.H2O/c15-9-1-2-11(23-6-9)12(16)26(24,25)10-4-7(13(17,18)19)3-8(5-10)14(20,21)22;15-10-1-2-11(22-6-10)7-25(23,24)12-4-8(13(16,17)18)3-9(5-12)14(19,20)21;15-10-1-2-11(22-6-10)7-23-12-4-8(13(16,17)18)3-9(5-12)14(19,20)21;1-5-2-6(8(9,10)11)4-7(12)3-5;7-3-6-2-1-5(8)4-9-6;;/h1-6,12H;1-6H,7H2;1-6H,7H2;2-4,12H,1H3;1-2,4H,3H2;;1H2/q;;;;;+1;/p-1.

What are the key properties of sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide?

sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide has a molecular weight of 1591.41 g/mol, XLogP of 18.63, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[[3,5-bis(trifluoromethyl)phenyl]sulfanylmethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-fluoromethyl]-5-chloropyridine;2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-5-chloropyridine;5-chloro-2-(chloromethyl)pyridine;3-methyl-5-(trifluoromethyl)benzenethiol;hydroxide is sourced from PubChem (CID 159952798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).