1,1,2-trimethoxy-1-silylpropane-2-thiol

C6H16O3SSi — CID 173183567

IUPAC1,1,2-trimethoxy-1-silylpropane-2-thiol
SMILESCOC(C)(S)C([SiH3])(OC)OC
InChIInChI=1S/C6H16O3SSi/c1-5(10,7-2)6(11,8-3)9-4/h10H,1-4,11H3
InChIKeyANYBRRRSFCTMFL-UHFFFAOYSA-N
MW196.34 g/mol
LogP-0.41
Rot. Bonds4

About 1,1,2-trimethoxy-1-silylpropane-2-thiol

1,1,2-trimethoxy-1-silylpropane-2-thiol (PubChem CID 173183567) has the molecular formula C6H16O3SSi and a molecular weight of 196.34 g/mol. Its IUPAC name is 1,1,2-trimethoxy-1-silylpropane-2-thiol.

Molecular Properties

Compound Name1,1,2-trimethoxy-1-silylpropane-2-thiol
PubChem CID173183567
Molecular FormulaC6H16O3SSi
Molecular Weight196.34 g/mol
Exact Mass196.06
IUPAC Name1,1,2-trimethoxy-1-silylpropane-2-thiol
SMILESCOC(C)(S)C([SiH3])(OC)OC
InChIInChI=1S/C6H16O3SSi/c1-5(10,7-2)6(11,8-3)9-4/h10H,1-4,11H3
InChIKeyANYBRRRSFCTMFL-UHFFFAOYSA-N
XLogP-0.41
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-1-silylpropane-2-thiol?
The IUPAC name of 1,1,2-trimethoxy-1-silylpropane-2-thiol (CID 173183567) is 1,1,2-trimethoxy-1-silylpropane-2-thiol.
What is the SMILES notation for 1,1,2-trimethoxy-1-silylpropane-2-thiol?
The canonical SMILES for 1,1,2-trimethoxy-1-silylpropane-2-thiol is COC(C)(S)C([SiH3])(OC)OC.
What is the InChIKey of 1,1,2-trimethoxy-1-silylpropane-2-thiol?
The InChIKey is ANYBRRRSFCTMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi/c1-5(10,7-2)6(11,8-3)9-4/h10H,1-4,11H3.
What are the key properties of 1,1,2-trimethoxy-1-silylpropane-2-thiol?
1,1,2-trimethoxy-1-silylpropane-2-thiol has a molecular weight of 196.34 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-1-silylpropane-2-thiol is sourced from PubChem (CID 173183567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).