2-[ethoxy(dimethyl)silyl]benzenethiol

C10H16OSSi — CID 54441074

IUPAC2-[ethoxy(dimethyl)silyl]benzenethiol
SMILESCCO[Si](C)(C)c1ccccc1S
InChIInChI=1S/C10H16OSSi/c1-4-11-13(2,3)10-8-6-5-7-9(10)12/h5-8,12H,4H2,1-3H3
InChIKeyWODDEHLQQHWNFG-UHFFFAOYSA-N
MW212.39 g/mol
LogP2.42
Rot. Bonds3

About 2-[ethoxy(dimethyl)silyl]benzenethiol

2-[ethoxy(dimethyl)silyl]benzenethiol (PubChem CID 54441074) has the molecular formula C10H16OSSi and a molecular weight of 212.39 g/mol. Its IUPAC name is 2-[ethoxy(dimethyl)silyl]benzenethiol.

Molecular Properties

Compound Name2-[ethoxy(dimethyl)silyl]benzenethiol
PubChem CID54441074
Molecular FormulaC10H16OSSi
Molecular Weight212.39 g/mol
Exact Mass212.07
IUPAC Name2-[ethoxy(dimethyl)silyl]benzenethiol
SMILESCCO[Si](C)(C)c1ccccc1S
InChIInChI=1S/C10H16OSSi/c1-4-11-13(2,3)10-8-6-5-7-9(10)12/h5-8,12H,4H2,1-3H3
InChIKeyWODDEHLQQHWNFG-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-bromophenyl)-ethoxy-dimethylsilane
CID 154202288
2-(triethoxysilylmethyl)benzenethiol
CID 141156182
3-[diethoxy(phenyl)silyl]-2-phenoxybenzenethiol
CID 67215543
triethoxy-(2-fluorophenyl)silane
CID 139239787
ethoxy-(ethoxy-methyl-phenylsilyl)-methyl-phenylsilane
CID 19809309
ethenyl-ethoxy-methyl-naphthalen-1-ylsilane
CID 154069499
diethoxy-phenyl-sulfanylsilane
CID 141237181
ethoxy-ethyl-phenyl-propylsilane
CID 68659738
[diethoxy(methyl)silyl]-phenylmethanol
CID 140892861
ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane
CID 164533641
ethoxy-iodo-methyl-phenylsilane
CID 154486985
2-phenyl-2-triethoxysilylethanamine
CID 174861845

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(dimethyl)silyl]benzenethiol?
The IUPAC name of 2-[ethoxy(dimethyl)silyl]benzenethiol (CID 54441074) is 2-[ethoxy(dimethyl)silyl]benzenethiol.
What is the SMILES notation for 2-[ethoxy(dimethyl)silyl]benzenethiol?
The canonical SMILES for 2-[ethoxy(dimethyl)silyl]benzenethiol is CCO[Si](C)(C)c1ccccc1S.
What is the InChIKey of 2-[ethoxy(dimethyl)silyl]benzenethiol?
The InChIKey is WODDEHLQQHWNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OSSi/c1-4-11-13(2,3)10-8-6-5-7-9(10)12/h5-8,12H,4H2,1-3H3.
What are the key properties of 2-[ethoxy(dimethyl)silyl]benzenethiol?
2-[ethoxy(dimethyl)silyl]benzenethiol has a molecular weight of 212.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(dimethyl)silyl]benzenethiol is sourced from PubChem (CID 54441074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).