tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane

C13H22SSi — CID 91727600

IUPACtert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane
SMILESCc1ccccc1S[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H22SSi/c1-11-9-7-8-10-12(11)14-15(5,6)13(2,3)4/h7-10H,1-6H3
InChIKeyLBCVQSGVEFFVFM-UHFFFAOYSA-N
MW238.47 g/mol
LogP5.09
Rot. Bonds2

About tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane

tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane (PubChem CID 91727600) has the molecular formula C13H22SSi and a molecular weight of 238.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane
PubChem CID91727600
Molecular FormulaC13H22SSi
Molecular Weight238.47 g/mol
Exact Mass238.12
IUPAC Nametert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane
SMILESCc1ccccc1S[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H22SSi/c1-11-9-7-8-10-12(11)14-15(5,6)13(2,3)4/h7-10H,1-6H3
InChIKeyLBCVQSGVEFFVFM-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.47
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane?
The IUPAC name of tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane (CID 91727600) is tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane.
What is the SMILES notation for tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane?
The canonical SMILES for tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane is Cc1ccccc1S[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane?
The InChIKey is LBCVQSGVEFFVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22SSi/c1-11-9-7-8-10-12(11)14-15(5,6)13(2,3)4/h7-10H,1-6H3.
What are the key properties of tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane?
tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane has a molecular weight of 238.47 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-methylphenyl)sulfanylsilane is sourced from PubChem (CID 91727600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).