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

C23H42O2S2Si2 — CID 134878851

IUPAC[(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(SCc2ccccc2)S[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O2S2Si2/c1-22(2,3)28(7,8)24-19-16-20(26-17-18-14-12-11-13-15-18)27-21(19)25-29(9,10)23(4,5)6/h11-15,19-21H,16-17H2,1-10H3/t19-,20?,21-/m0/s1
InChIKeyANYWRSFFAJPIHU-YSTUSHMSSA-N
MW470.89 g/mol
LogP8.12
Rot. Bonds7

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

[(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134878851) has the molecular formula C23H42O2S2Si2 and a molecular weight of 470.89 g/mol. Its IUPAC name is [(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134878851
Molecular FormulaC23H42O2S2Si2
Molecular Weight470.89 g/mol
Exact Mass470.22
IUPAC Name[(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(SCc2ccccc2)S[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O2S2Si2/c1-22(2,3)28(7,8)24-19-16-20(26-17-18-14-12-11-13-15-18)27-21(19)25-29(9,10)23(4,5)6/h11-15,19-21H,16-17H2,1-10H3/t19-,20?,21-/m0/s1
InChIKeyANYWRSFFAJPIHU-YSTUSHMSSA-N
XLogP8.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.89
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Benzylsulfanylpropyl(triethoxy)silane
CID 59305910
(4aR,7aS)-6-benzylsulfanyl-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-thieno[3,2-d][1,3,2]dioxasiline
CID 10992953
1-Benzylsulfanylbutoxy(trimethyl)silane
CID 12664830
(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
tert-butyl-[4-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-hexylsulfanyl-3-methylcyclopent-2-en-1-yl]-1-phenylbut-3-en-2-yl]oxy-dimethylsilane
CID 57106069
Triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane
CID 59305880
3-[[4-(Butylsulfanylmethyl)phenyl]methylsulfanyl]propyl-trimethoxysilane
CID 59503032

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane (CID 134878851) is [(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CC(SCc2ccccc2)S[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is ANYWRSFFAJPIHU-YSTUSHMSSA-N. The full InChI is InChI=1S/C23H42O2S2Si2/c1-22(2,3)28(7,8)24-19-16-20(26-17-18-14-12-11-13-15-18)27-21(19)25-29(9,10)23(4,5)6/h11-15,19-21H,16-17H2,1-10H3/t19-,20?,21-/m0/s1.
What are the key properties of [(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 470.89 g/mol, XLogP of 8.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-5-benzylsulfanyl-2-[tert-butyl(dimethyl)silyl]oxythiolan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134878851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).