benzylsulfanyl(trimethoxy)silane

C10H16O3SSi — CID 87127479

IUPACbenzylsulfanyl(trimethoxy)silane
SMILESCO[Si](OC)(OC)SCc1ccccc1
InChIInChI=1S/C10H16O3SSi/c1-11-15(12-2,13-3)14-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyKRNICLSRYJYZJU-UHFFFAOYSA-N
MW244.39 g/mol
LogP2.29
Rot. Bonds6

About benzylsulfanyl(trimethoxy)silane

benzylsulfanyl(trimethoxy)silane (PubChem CID 87127479) has the molecular formula C10H16O3SSi and a molecular weight of 244.39 g/mol. Its IUPAC name is benzylsulfanyl(trimethoxy)silane.

Molecular Properties

Compound Namebenzylsulfanyl(trimethoxy)silane
PubChem CID87127479
Molecular FormulaC10H16O3SSi
Molecular Weight244.39 g/mol
Exact Mass244.06
IUPAC Namebenzylsulfanyl(trimethoxy)silane
SMILESCO[Si](OC)(OC)SCc1ccccc1
InChIInChI=1S/C10H16O3SSi/c1-11-15(12-2,13-3)14-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyKRNICLSRYJYZJU-UHFFFAOYSA-N
XLogP2.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 52.29
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

(benzyltetrasulfanyl)methylbenzene;ethane
CID 143979084
ethane;hydroxysulfanylmethylbenzene
CID 143821204
ethane;methane;methylsulfanylmethylbenzene
CID 161395103
benzylbenzene;ethane;methoxymethane
CID 159187560
ethane;ethylbenzene;methoxymethane
CID 91307642
benzylbenzene;methoxymethane
CID 161110966
benzylsulfanyl-bromo-dimethylstannane
CID 71443949
ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene
CID 161313469
3-benzylsulfanyl-6-methoxypyridazine
CID 86259421
benzyl-diethyl-methoxysilane
CID 13486120
S-benzylthiohydroxylamine
CID 14664407
trimethyl-[[4-(trimethylsilylsulfanylmethyl)phenyl]methylsulfanyl]silane
CID 91696791

Frequently Asked Questions

What is the IUPAC name of benzylsulfanyl(trimethoxy)silane?
The IUPAC name of benzylsulfanyl(trimethoxy)silane (CID 87127479) is benzylsulfanyl(trimethoxy)silane.
What is the SMILES notation for benzylsulfanyl(trimethoxy)silane?
The canonical SMILES for benzylsulfanyl(trimethoxy)silane is CO[Si](OC)(OC)SCc1ccccc1.
What is the InChIKey of benzylsulfanyl(trimethoxy)silane?
The InChIKey is KRNICLSRYJYZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3SSi/c1-11-15(12-2,13-3)14-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of benzylsulfanyl(trimethoxy)silane?
benzylsulfanyl(trimethoxy)silane has a molecular weight of 244.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfanyl(trimethoxy)silane is sourced from PubChem (CID 87127479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).