[(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane

C24H44O2S2Si2 — CID 11092105

IUPAC[(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1SC(SCc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H44O2S2Si2/c1-23(2,3)29(7,8)25-17-21-20(26-30(9,10)24(4,5)6)16-22(28-21)27-18-19-14-12-11-13-15-19/h11-15,20-22H,16-18H2,1-10H3/t20-,21+,22?/m0/s1
InChIKeyQHMWEWGDWQYQHK-UGGDCYSXSA-N
MW484.92 g/mol
LogP8.16
Rot. Bonds8

About [(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11092105) has the molecular formula C24H44O2S2Si2 and a molecular weight of 484.92 g/mol. Its IUPAC name is [(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11092105
Molecular FormulaC24H44O2S2Si2
Molecular Weight484.92 g/mol
Exact Mass484.23
IUPAC Name[(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1SC(SCc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H44O2S2Si2/c1-23(2,3)29(7,8)25-17-21-20(26-30(9,10)24(4,5)6)16-22(28-21)27-18-19-14-12-11-13-15-19/h11-15,20-22H,16-18H2,1-10H3/t20-,21+,22?/m0/s1
InChIKeyQHMWEWGDWQYQHK-UGGDCYSXSA-N
XLogP8.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.92
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Benzylsulfanylpropyl(triethoxy)silane
CID 59305910
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CID 10992953
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(E)-2-phenylethenyl]-1,3-dithian-2-yl]hept-6-en-2-ol
CID 11677043
1-Benzylsulfanylbutoxy(trimethyl)silane
CID 12664830
Trimethyl-[[3-methyl-2-phenylsulfanyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methoxy]silane
CID 14961477
[(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 134878851
(4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,3-oxathiolane-2-thione
CID 134882381
tert-butyl-[(3R,4R,5S)-5-butylsulfanyl-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane
CID 154722509
tert-butyl-[(3R,4R,5R)-5-butylsulfanyl-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane
CID 154722620
(6aR,9aS)-8-benzylsulfanyl-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 10929180
3-[(4-Ethenylphenyl)methylsulfanyl]propyl-diethoxy-methylsilane
CID 21091311
Benzylsulfanyl(3-triethoxysilylpropylsulfanyl)methanethione
CID 22247087

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane (CID 11092105) is [(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1SC(SCc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is QHMWEWGDWQYQHK-UGGDCYSXSA-N. The full InChI is InChI=1S/C24H44O2S2Si2/c1-23(2,3)29(7,8)25-17-21-20(26-30(9,10)24(4,5)6)16-22(28-21)27-18-19-14-12-11-13-15-19/h11-15,20-22H,16-18H2,1-10H3/t20-,21+,22?/m0/s1.
What are the key properties of [(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 484.92 g/mol, XLogP of 8.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-benzylsulfanyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11092105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).