tributyl(methylsulfanyl)silane

C13H30SSi — CID 139823750

IUPACtributyl(methylsulfanyl)silane
SMILESCCCC[Si](CCCC)(CCCC)SC
InChIInChI=1S/C13H30SSi/c1-5-8-11-15(14-4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3
InChIKeyMVWRORJDWOWURP-UHFFFAOYSA-N
MW246.54 g/mol
LogP5.70
Rot. Bonds10

About tributyl(methylsulfanyl)silane

tributyl(methylsulfanyl)silane (PubChem CID 139823750) has the molecular formula C13H30SSi and a molecular weight of 246.54 g/mol. Its IUPAC name is tributyl(methylsulfanyl)silane.

Molecular Properties

Compound Nametributyl(methylsulfanyl)silane
PubChem CID139823750
Molecular FormulaC13H30SSi
Molecular Weight246.54 g/mol
Exact Mass246.18
IUPAC Nametributyl(methylsulfanyl)silane
SMILESCCCC[Si](CCCC)(CCCC)SC
InChIInChI=1S/C13H30SSi/c1-5-8-11-15(14-4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3
InChIKeyMVWRORJDWOWURP-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexane;methylsulfanylmethane
CID 161474362
hexane;tris((methyldisulfanyl)methane)
CID 162088093
dibutyl(diiodo)silane
CID 19755165
N-[dibutyl(propyl)silyl]methanamine
CID 87362748
butyl-dihexyl-octylsilane
CID 168803297
dibromo-butyl-methylsilane
CID 140744808
dibutyl-chloro-[4-[dibutyl(chloro)silyl]butyl]silane
CID 87144873
1-[diheptyl-(triheptylsilylamino)silyl]heptane
CID 170745053
butyl-iodo-dipropylsilane
CID 166025271
trifluoro(tridecyl)silane
CID 537319
butyl-dimethyl-undecylsilane
CID 54018421
butyl-heptyl-methyl-octylsilane
CID 168803305

Frequently Asked Questions

What is the IUPAC name of tributyl(methylsulfanyl)silane?
The IUPAC name of tributyl(methylsulfanyl)silane (CID 139823750) is tributyl(methylsulfanyl)silane.
What is the SMILES notation for tributyl(methylsulfanyl)silane?
The canonical SMILES for tributyl(methylsulfanyl)silane is CCCC[Si](CCCC)(CCCC)SC.
What is the InChIKey of tributyl(methylsulfanyl)silane?
The InChIKey is MVWRORJDWOWURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30SSi/c1-5-8-11-15(14-4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3.
What are the key properties of tributyl(methylsulfanyl)silane?
tributyl(methylsulfanyl)silane has a molecular weight of 246.54 g/mol, XLogP of 5.70, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(methylsulfanyl)silane is sourced from PubChem (CID 139823750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).