1-benzylsulfanylbutoxy(trimethyl)silane

C14H24OSSi — CID 12664830

IUPAC1-benzylsulfanylbutoxy(trimethyl)silane
SMILESCCCC(O[Si](C)(C)C)SCc1ccccc1
InChIInChI=1S/C14H24OSSi/c1-5-9-14(15-17(2,3)4)16-12-13-10-7-6-8-11-13/h6-8,10-11,14H,5,9,12H2,1-4H3
InChIKeyIGHMDCLYDWDKST-UHFFFAOYSA-N
MW268.50 g/mol
LogP4.90
Rot. Bonds7

About 1-benzylsulfanylbutoxy(trimethyl)silane

1-benzylsulfanylbutoxy(trimethyl)silane (PubChem CID 12664830) has the molecular formula C14H24OSSi and a molecular weight of 268.50 g/mol. Its IUPAC name is 1-benzylsulfanylbutoxy(trimethyl)silane.

Molecular Properties

Compound Name1-benzylsulfanylbutoxy(trimethyl)silane
PubChem CID12664830
Molecular FormulaC14H24OSSi
Molecular Weight268.50 g/mol
Exact Mass268.13
IUPAC Name1-benzylsulfanylbutoxy(trimethyl)silane
SMILESCCCC(O[Si](C)(C)C)SCc1ccccc1
InChIInChI=1S/C14H24OSSi/c1-5-9-14(15-17(2,3)4)16-12-13-10-7-6-8-11-13/h6-8,10-11,14H,5,9,12H2,1-4H3
InChIKeyIGHMDCLYDWDKST-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Benzene, ((ethoxydimethylsilyl)methyl)-
CID 86972
2-(Benzylthio)ethanol
CID 77486
S-benzyl ethanethioate
CID 10920881
O-n-Butyl-S-benzyl-xanthate
CID 22192
Benzene, [[(1,1-dimethylethyl)thio]methyl]-
CID 561152
Silane, trimethyl[(phenylmethyl)thio]-
CID 561584
[(Butylsulfanyl)methyl]benzene
CID 10397407
Benzyl-n-hexylsulfid
CID 10998253
Benzyl sec-butyl sulfide
CID 12709210
[6-Benzylsulfanyl-6-(trifluoromethyl)-2,5-dihydrothiopyran-2-yl]oxy-trimethylsilane
CID 15312186
Tert-butyl-[2-(1-fluoro-2,2-diphenylethenyl)sulfanylethoxy]-dimethylsilane
CID 176422313
trimethyl-[(E)-2-phenylethenoxy]silane
CID 11745488

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanylbutoxy(trimethyl)silane?
The IUPAC name of 1-benzylsulfanylbutoxy(trimethyl)silane (CID 12664830) is 1-benzylsulfanylbutoxy(trimethyl)silane.
What is the SMILES notation for 1-benzylsulfanylbutoxy(trimethyl)silane?
The canonical SMILES for 1-benzylsulfanylbutoxy(trimethyl)silane is CCCC(O[Si](C)(C)C)SCc1ccccc1.
What is the InChIKey of 1-benzylsulfanylbutoxy(trimethyl)silane?
The InChIKey is IGHMDCLYDWDKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSSi/c1-5-9-14(15-17(2,3)4)16-12-13-10-7-6-8-11-13/h6-8,10-11,14H,5,9,12H2,1-4H3.
What are the key properties of 1-benzylsulfanylbutoxy(trimethyl)silane?
1-benzylsulfanylbutoxy(trimethyl)silane has a molecular weight of 268.50 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanylbutoxy(trimethyl)silane is sourced from PubChem (CID 12664830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).