disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane

C46H64Cl2F8Na2O12S4Si4 — CID 160574307

IUPACdisodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane
SMILESCO[Si](CCc1ccc(CCC(Cl)c2c(F)c(F)c(SCCCS(=O)(=O)[O-])c(F)c2F)cc1)(OC)OC.CO[Si](CCc1ccc(CCC(Cl)c2c(F)c(F)c([S-])c(F)c2F)cc1)(OC)OC.O=S1(=O)CCCO1.[Na+].[Na+].[SiH4].[SiH4]
InChIInChI=1S/C23H29ClF4O6S2Si.C20H23ClF4O3SSi.C3H6O3S.2Na.2H4Si/c1-32-37(33-2,34-3)14-11-16-7-5-15(6-8-16)9-10-17(24)18-19(25)21(27)23(22(28)20(18)26)35-12-4-13-36(29,30)31;1-26-30(27-2,28-3)11-10-13-6-4-12(5-7-13)8-9-14(21)15-16(22)18(24)20(29)19(25)17(15)23;4-7(5)3-1-2-6-7;;;;/h5-8,17H,4,9-14H2,1-3H3,(H,29,30,31);4-7,14,29H,8-11H2,1-3H3;1-3H2;;;2*1H4/q;;;2*+1;;/p-2
InChIKeyRAYHFVVDGSKMDC-UHFFFAOYSA-L
MW1318.49 g/mol
LogP1.93
Rot. Bonds25

About disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane

disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane (PubChem CID 160574307) has the molecular formula C46H64Cl2F8Na2O12S4Si4 and a molecular weight of 1318.49 g/mol. Its IUPAC name is disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane.

Molecular Properties

Compound Namedisodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane
PubChem CID160574307
Molecular FormulaC46H64Cl2F8Na2O12S4Si4
Molecular Weight1318.49 g/mol
Exact Mass1316.14
IUPAC Namedisodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane
SMILESCO[Si](CCc1ccc(CCC(Cl)c2c(F)c(F)c(SCCCS(=O)(=O)[O-])c(F)c2F)cc1)(OC)OC.CO[Si](CCc1ccc(CCC(Cl)c2c(F)c(F)c([S-])c(F)c2F)cc1)(OC)OC.O=S1(=O)CCCO1.[Na+].[Na+].[SiH4].[SiH4]
InChIInChI=1S/C23H29ClF4O6S2Si.C20H23ClF4O3SSi.C3H6O3S.2Na.2H4Si/c1-32-37(33-2,34-3)14-11-16-7-5-15(6-8-16)9-10-17(24)18-19(25)21(27)23(22(28)20(18)26)35-12-4-13-36(29,30)31;1-26-30(27-2,28-3)11-10-13-6-4-12(5-7-13)8-9-14(21)15-16(22)18(24)20(29)19(25)17(15)23;4-7(5)3-1-2-6-7;;;;/h5-8,17H,4,9-14H2,1-3H3,(H,29,30,31);4-7,14,29H,8-11H2,1-3H3;1-3H2;;;2*1H4/q;;;2*+1;;/p-2
InChIKeyRAYHFVVDGSKMDC-UHFFFAOYSA-L
XLogP1.93
TPSA155.95 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001318.49
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane with MolForge

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Related Compounds

3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane
CID 158222994
Sodium 3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate
CID 153455938
Sodium 3-[4-[1-chloro-5-[4-(2-trimethoxysilylethyl)phenyl]-1-(4-tritiophenyl)pentan-3-yl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate
CID 153455944
Disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenesulfonate;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;silane
CID 160105439
3-[4-[1-Chloro-5-[4-(2-trimethoxysilylethyl)phenyl]-1-(4-tritiophenyl)pentan-3-yl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonic acid
CID 153455945

Frequently Asked Questions

What is the IUPAC name of disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane?
The IUPAC name of disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane (CID 160574307) is disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane.
What is the SMILES notation for disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane?
The canonical SMILES for disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane is CO[Si](CCc1ccc(CCC(Cl)c2c(F)c(F)c(SCCCS(=O)(=O)[O-])c(F)c2F)cc1)(OC)OC.CO[Si](CCc1ccc(CCC(Cl)c2c(F)c(F)c([S-])c(F)c2F)cc1)(OC)OC.O=S1(=O)CCCO1.[Na+].[Na+].[SiH4].[SiH4].
What is the InChIKey of disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane?
The InChIKey is RAYHFVVDGSKMDC-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H29ClF4O6S2Si.C20H23ClF4O3SSi.C3H6O3S.2Na.2H4Si/c1-32-37(33-2,34-3)14-11-16-7-5-15(6-8-16)9-10-17(24)18-19(25)21(27)23(22(28)20(18)26)35-12-4-13-36(29,30)31;1-26-30(27-2,28-3)11-10-13-6-4-12(5-7-13)8-9-14(21)15-16(22)18(24)20(29)19(25)17(15)23;4-7(5)3-1-2-6-7;;;;/h5-8,17H,4,9-14H2,1-3H3,(H,29,30,31);4-7,14,29H,8-11H2,1-3H3;1-3H2;;;2*1H4/q;;;2*+1;;/p-2.
What are the key properties of disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane?
disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane has a molecular weight of 1318.49 g/mol, XLogP of 1.93, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane is sourced from PubChem (CID 160574307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).