2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol

C12H20O3SSi — CID 87336831

IUPAC2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol
SMILESCO[Si](CCc1ccccc1)(OC)OCCS
InChIInChI=1S/C12H20O3SSi/c1-13-17(14-2,15-9-10-16)11-8-12-6-4-3-5-7-12/h3-7,16H,8-11H2,1-2H3
InChIKeyHXJTYNIXHZJYTH-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.41
Rot. Bonds8

About 2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol

2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol (PubChem CID 87336831) has the molecular formula C12H20O3SSi and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol.

Molecular Properties

Compound Name2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol
PubChem CID87336831
Molecular FormulaC12H20O3SSi
Molecular Weight272.44 g/mol
Exact Mass272.09
IUPAC Name2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol
SMILESCO[Si](CCc1ccccc1)(OC)OCCS
InChIInChI=1S/C12H20O3SSi/c1-13-17(14-2,15-9-10-16)11-8-12-6-4-3-5-7-12/h3-7,16H,8-11H2,1-2H3
InChIKeyHXJTYNIXHZJYTH-UHFFFAOYSA-N
XLogP2.41
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.41
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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Related Compounds

trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane
CID 159040096
trimethoxy(2-phenylethyl)silane;trimethoxy(propyl)silane
CID 70127509
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
3-[dimethoxy(2-phenylethoxy)silyl]propan-1-amine
CID 66744163
N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine
CID 66688681
[dimethoxy(3-phenylpropoxy)silyl]methanamine
CID 139835551
trimethoxy-[2-[3-(2-trimethoxysilylethyl)phenyl]ethyl]silane
CID 56847492
trimethoxy(12-phenyldodecyl)silane
CID 54325157
[diethoxy(2-phenylethoxy)silyl]methanethiol
CID 141358316
[4-(2-trimethoxysilylethyl)phenyl]methyl benzenecarbodithioate
CID 59524532
2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
CID 90226834
N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine
CID 141324806

Frequently Asked Questions

What is the IUPAC name of 2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol?
The IUPAC name of 2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol (CID 87336831) is 2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol.
What is the SMILES notation for 2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol?
The canonical SMILES for 2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol is CO[Si](CCc1ccccc1)(OC)OCCS.
What is the InChIKey of 2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol?
The InChIKey is HXJTYNIXHZJYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3SSi/c1-13-17(14-2,15-9-10-16)11-8-12-6-4-3-5-7-12/h3-7,16H,8-11H2,1-2H3.
What are the key properties of 2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol?
2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol has a molecular weight of 272.44 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol is sourced from PubChem (CID 87336831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).