bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium

C153H200F9O2S11+11 — CID 157168748

About bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium

bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium (PubChem CID 157168748) has the molecular formula C153H200F9O2S11+11 and a molecular weight of 2595.00 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium.

Molecular Properties

• Compound Name: bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium
• PubChem CID: 157168748
• Molecular Formula: C153H200F9O2S11+11
• Molecular Weight: 2595.00 g/mol
• Exact Mass: 2592.23
• IUPAC Name: bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium
• SMILES: CC.CC(C)(C)c1ccc(-[s+]2ccc3ccccc32)cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)C(F)(F)F)cc1.CCCC[S+](CCCC)CCCC.COc1c(C)cc([S+](c2ccccc2)C(F)(F)F)cc1C.COc1c(C)cc([S+]2CCCCC2)cc1C.C[S+](C)C.C[S+](C)c1ccccc1.C[S+](c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.FC(F)(F)[S+](c1ccccc1)c1ccccc1.c1ccc(-[s+]2ccc3ccccc32)cc1.c1ccc([S+]2CCCCC2)cc1
• InChI: InChI=1S/C21H26F3S.C21H29S.C18H19S.C16H16F3OS.C14H21OS.C14H11S.C13H10F3S.C12H27S.C11H15S.C8H11S.C3H9S.C2H6/c1-19(2,3)15-7-11-17(12-8-15)25(21(22,23)24)18-13-9-16(10-14-18)20(4,5)6;1-20(2,3)16-8-12-18(13-9-16)22(7)19-14-10-17(11-15-19)21(4,5)6;1-18(2,3)15-8-10-16(11-9-15)19-13-12-14-6-4-5-7-17(14)19;1-11-9-14(10-12(2)15(11)20-3)21(16(17,18)19)13-7-5-4-6-8-13;1-11-9-13(10-12(2)14(11)15-3)16-7-5-4-6-8-16;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9(2)8-6-4-3-5-7-8;1-4(2)3;1-2/h7-14H,1-6H3;8-15H,1-7H3;4-13H,1-3H3;4-10H,1-3H3;9-10H,4-8H2,1-3H3;1-11H;1-10H;4-12H2,1-3H3;1,3-4,7-8H,2,5-6,9-10H2;3-7H,1-2H3;1-3H3;1-2H3/q11*+1
• InChIKey: ANFGBDPVIGKFNK-UHFFFAOYSA-N
• XLogP: 46.12
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 24
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2595.00
LogP ≤ 5	46.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium?

The IUPAC name of bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium (CID 157168748) is bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium.

What is the SMILES notation for bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium?

The canonical SMILES for bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium is CC.CC(C)(C)c1ccc(-[s+]2ccc3ccccc32)cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)C(F)(F)F)cc1.CCCC[S+](CCCC)CCCC.COc1c(C)cc([S+](c2ccccc2)C(F)(F)F)cc1C.COc1c(C)cc([S+]2CCCCC2)cc1C.C[S+](C)C.C[S+](C)c1ccccc1.C[S+](c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.FC(F)(F)[S+](c1ccccc1)c1ccccc1.c1ccc(-[s+]2ccc3ccccc32)cc1.c1ccc([S+]2CCCCC2)cc1.

What is the InChIKey of bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium?

The InChIKey is ANFGBDPVIGKFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3S.C21H29S.C18H19S.C16H16F3OS.C14H21OS.C14H11S.C13H10F3S.C12H27S.C11H15S.C8H11S.C3H9S.C2H6/c1-19(2,3)15-7-11-17(12-8-15)25(21(22,23)24)18-13-9-16(10-14-18)20(4,5)6;1-20(2,3)16-8-12-18(13-9-16)22(7)19-14-10-17(11-15-19)21(4,5)6;1-18(2,3)15-8-10-16(11-9-15)19-13-12-14-6-4-5-7-17(14)19;1-11-9-14(10-12(2)15(11)20-3)21(16(17,18)19)13-7-5-4-6-8-13;1-11-9-13(10-12(2)14(11)15-3)16-7-5-4-6-8-16;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15;14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9(2)8-6-4-3-5-7-8;1-4(2)3;1-2/h7-14H,1-6H3;8-15H,1-7H3;4-13H,1-3H3;4-10H,1-3H3;9-10H,4-8H2,1-3H3;1-11H;1-10H;4-12H2,1-3H3;1,3-4,7-8H,2,5-6,9-10H2;3-7H,1-2H3;1-3H3;1-2H3/q11*+1;.

What are the key properties of bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium?

bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium has a molecular weight of 2595.00 g/mol, XLogP of 46.12, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-tert-butylphenyl)-methylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;ethane;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;1-(4-methoxy-3,5-dimethylphenyl)thian-1-ium;1-phenyl-1-benzothiophen-1-ium;1-phenylthian-1-ium;tributylsulfanium;trimethylsulfanium is sourced from PubChem (CID 157168748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).