(methoxy-methyl-phenylsilyl)oxymethanethiol

C9H14O2SSi — CID 154283420

IUPAC(methoxy-methyl-phenylsilyl)oxymethanethiol
SMILESCO[Si](C)(OCS)c1ccccc1
InChIInChI=1S/C9H14O2SSi/c1-10-13(2,11-8-12)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3
InChIKeyDJPVZPLOSXAGBN-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.52
Rot. Bonds4

About (methoxy-methyl-phenylsilyl)oxymethanethiol

(methoxy-methyl-phenylsilyl)oxymethanethiol (PubChem CID 154283420) has the molecular formula C9H14O2SSi and a molecular weight of 214.36 g/mol. Its IUPAC name is (methoxy-methyl-phenylsilyl)oxymethanethiol.

Molecular Properties

Compound Name(methoxy-methyl-phenylsilyl)oxymethanethiol
PubChem CID154283420
Molecular FormulaC9H14O2SSi
Molecular Weight214.36 g/mol
Exact Mass214.05
IUPAC Name(methoxy-methyl-phenylsilyl)oxymethanethiol
SMILESCO[Si](C)(OCS)c1ccccc1
InChIInChI=1S/C9H14O2SSi/c1-10-13(2,11-8-12)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3
InChIKeyDJPVZPLOSXAGBN-UHFFFAOYSA-N
XLogP1.52
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methoxy-methyl-phenyl-prop-2-ynoxysilane
CID 154240479
methoxy-methyl-(2-phenoxyethoxy)-phenylsilane
CID 151350623
dimethoxy-methyl-phenylsilane;methoxysilane
CID 173325239
[dimethyl(trimethylsilyloxy)silyl]oxy-methoxy-methyl-phenylsilane
CID 58662902
[4-[dimethoxy(methyl)silyl]phenyl]-dimethoxy-methylsilane
CID 12040565
bis[[dimethoxy(phenyl)silyl]oxy]-methyl-phenylsilane
CID 90381313
(methoxy-methyl-phenylsilyl) acetate
CID 122395154
bis[[diethoxy(methyl)silyl]oxy]-methyl-phenylsilane
CID 141467412
dimethoxy-methyl-[4-(1-phenylethyl)phenyl]silane
CID 175153664
bromo-methoxy-methyl-phenylsilane
CID 140744784
dimethoxy-phenyl-(2-trimethylsilylethyl)silane
CID 59357473
[dimethyl(phenyl)silyl]methyl-methoxy-dimethylsilane
CID 59357407

Frequently Asked Questions

What is the IUPAC name of (methoxy-methyl-phenylsilyl)oxymethanethiol?
The IUPAC name of (methoxy-methyl-phenylsilyl)oxymethanethiol (CID 154283420) is (methoxy-methyl-phenylsilyl)oxymethanethiol.
What is the SMILES notation for (methoxy-methyl-phenylsilyl)oxymethanethiol?
The canonical SMILES for (methoxy-methyl-phenylsilyl)oxymethanethiol is CO[Si](C)(OCS)c1ccccc1.
What is the InChIKey of (methoxy-methyl-phenylsilyl)oxymethanethiol?
The InChIKey is DJPVZPLOSXAGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2SSi/c1-10-13(2,11-8-12)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3.
What are the key properties of (methoxy-methyl-phenylsilyl)oxymethanethiol?
(methoxy-methyl-phenylsilyl)oxymethanethiol has a molecular weight of 214.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (methoxy-methyl-phenylsilyl)oxymethanethiol is sourced from PubChem (CID 154283420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).