(4-methyl-2-trimethoxysilylphenyl)methanethiol

C11H18O3SSi — CID 22005762

IUPAC(4-methyl-2-trimethoxysilylphenyl)methanethiol
SMILESCO[Si](OC)(OC)c1cc(C)ccc1CS
InChIInChI=1S/C11H18O3SSi/c1-9-5-6-10(8-15)11(7-9)16(12-2,13-3)14-4/h5-7,15H,8H2,1-4H3
InChIKeyQFARYTHKJNSTHA-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.51
Rot. Bonds5

About (4-methyl-2-trimethoxysilylphenyl)methanethiol

(4-methyl-2-trimethoxysilylphenyl)methanethiol (PubChem CID 22005762) has the molecular formula C11H18O3SSi and a molecular weight of 258.41 g/mol. Its IUPAC name is (4-methyl-2-trimethoxysilylphenyl)methanethiol.

Molecular Properties

Compound Name(4-methyl-2-trimethoxysilylphenyl)methanethiol
PubChem CID22005762
Molecular FormulaC11H18O3SSi
Molecular Weight258.41 g/mol
Exact Mass258.07
IUPAC Name(4-methyl-2-trimethoxysilylphenyl)methanethiol
SMILESCO[Si](OC)(OC)c1cc(C)ccc1CS
InChIInChI=1S/C11H18O3SSi/c1-9-5-6-10(8-15)11(7-9)16(12-2,13-3)14-4/h5-7,15H,8H2,1-4H3
InChIKeyQFARYTHKJNSTHA-UHFFFAOYSA-N
XLogP1.51
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-trimethoxysilylphenyl)methanethiol?
The IUPAC name of (4-methyl-2-trimethoxysilylphenyl)methanethiol (CID 22005762) is (4-methyl-2-trimethoxysilylphenyl)methanethiol.
What is the SMILES notation for (4-methyl-2-trimethoxysilylphenyl)methanethiol?
The canonical SMILES for (4-methyl-2-trimethoxysilylphenyl)methanethiol is CO[Si](OC)(OC)c1cc(C)ccc1CS.
What is the InChIKey of (4-methyl-2-trimethoxysilylphenyl)methanethiol?
The InChIKey is QFARYTHKJNSTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3SSi/c1-9-5-6-10(8-15)11(7-9)16(12-2,13-3)14-4/h5-7,15H,8H2,1-4H3.
What are the key properties of (4-methyl-2-trimethoxysilylphenyl)methanethiol?
(4-methyl-2-trimethoxysilylphenyl)methanethiol has a molecular weight of 258.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-trimethoxysilylphenyl)methanethiol is sourced from PubChem (CID 22005762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).