trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane

C27H44O2S2Si2 — CID 134878963

IUPACtrimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane
SMILESC[Si](C)(C)O[C@H](CCCSc1ccccc1)C[C@H](CCCSc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C27H44O2S2Si2/c1-32(2,3)28-24(15-13-21-30-26-17-9-7-10-18-26)23-25(29-33(4,5)6)16-14-22-31-27-19-11-8-12-20-27/h7-12,17-20,24-25H,13-16,21-23H2,1-6H3/t24-,25+
InChIKeyBWZZKUSHNJTYHO-PLQXJYEYSA-N
MW520.95 g/mol
LogP8.96
Rot. Bonds16

About trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane

trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane (PubChem CID 134878963) has the molecular formula C27H44O2S2Si2 and a molecular weight of 520.95 g/mol. Its IUPAC name is trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane
PubChem CID134878963
Molecular FormulaC27H44O2S2Si2
Molecular Weight520.95 g/mol
Exact Mass520.23
IUPAC Nametrimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane
SMILESC[Si](C)(C)O[C@H](CCCSc1ccccc1)C[C@H](CCCSc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C27H44O2S2Si2/c1-32(2,3)28-24(15-13-21-30-26-17-9-7-10-18-26)23-25(29-33(4,5)6)16-14-22-31-27-19-11-8-12-20-27/h7-12,17-20,24-25H,13-16,21-23H2,1-6H3/t24-,25+
InChIKeyBWZZKUSHNJTYHO-PLQXJYEYSA-N
XLogP8.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.95
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)sulfanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-thieno[3,2-f][1,3,5,2,4]trioxadisilocine
CID 153333206
trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane
CID 11068172
4,4-Bis(phenylsulfanyl)butoxy-tert-butyl-dimethylsilane
CID 25016402
1,1-Bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane
CID 134877975
TBDMS(-3)[TBDMS(-4)]2,6-deoxy-Hex-SPh
CID 135022444
[(3S,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylsulfanyloxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135022445
[(3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylsulfanyloxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135022447
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)]6-deoxy-Hex-SPh
CID 164668714
1,4-Bis(phenylsulfanyl)butan-2-yloxy-dimethyl-phenylsilane
CID 44470529
(1-Dodecoxy-2-phenylsulfanylethyl)sulfanylbenzene
CID 54230647
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylsulfanylhexadecan-3-ol
CID 57275408
7-(Benzenesulfonyl)heptan-2-yloxy-triethylsilane
CID 70348759

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane?
The IUPAC name of trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane (CID 134878963) is trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane.
What is the SMILES notation for trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane?
The canonical SMILES for trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane is C[Si](C)(C)O[C@H](CCCSc1ccccc1)C[C@H](CCCSc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane?
The InChIKey is BWZZKUSHNJTYHO-PLQXJYEYSA-N. The full InChI is InChI=1S/C27H44O2S2Si2/c1-32(2,3)28-24(15-13-21-30-26-17-9-7-10-18-26)23-25(29-33(4,5)6)16-14-22-31-27-19-11-8-12-20-27/h7-12,17-20,24-25H,13-16,21-23H2,1-6H3/t24-,25+.
What are the key properties of trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane?
trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane has a molecular weight of 520.95 g/mol, XLogP of 8.96, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane is sourced from PubChem (CID 134878963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).