1-(2-dimethylsilyloxan-2-yl)propane-1-thiol

C10H22OSSi — CID 173222317

IUPAC1-(2-dimethylsilyloxan-2-yl)propane-1-thiol
SMILESCCC(S)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C10H22OSSi/c1-4-9(12)10(13(2)3)7-5-6-8-11-10/h9,12-13H,4-8H2,1-3H3
InChIKeyDANGIVKBGLQTQE-UHFFFAOYSA-N
MW218.44 g/mol
LogP2.66
Rot. Bonds3

About 1-(2-dimethylsilyloxan-2-yl)propane-1-thiol

1-(2-dimethylsilyloxan-2-yl)propane-1-thiol (PubChem CID 173222317) has the molecular formula C10H22OSSi and a molecular weight of 218.44 g/mol. Its IUPAC name is 1-(2-dimethylsilyloxan-2-yl)propane-1-thiol.

Molecular Properties

Compound Name1-(2-dimethylsilyloxan-2-yl)propane-1-thiol
PubChem CID173222317
Molecular FormulaC10H22OSSi
Molecular Weight218.44 g/mol
Exact Mass218.12
IUPAC Name1-(2-dimethylsilyloxan-2-yl)propane-1-thiol
SMILESCCC(S)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C10H22OSSi/c1-4-9(12)10(13(2)3)7-5-6-8-11-10/h9,12-13H,4-8H2,1-3H3
InChIKeyDANGIVKBGLQTQE-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.44
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-dimethylsilyloxan-2-yl)propane-1-thiol?
The IUPAC name of 1-(2-dimethylsilyloxan-2-yl)propane-1-thiol (CID 173222317) is 1-(2-dimethylsilyloxan-2-yl)propane-1-thiol.
What is the SMILES notation for 1-(2-dimethylsilyloxan-2-yl)propane-1-thiol?
The canonical SMILES for 1-(2-dimethylsilyloxan-2-yl)propane-1-thiol is CCC(S)C1([SiH](C)C)CCCCO1.
What is the InChIKey of 1-(2-dimethylsilyloxan-2-yl)propane-1-thiol?
The InChIKey is DANGIVKBGLQTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OSSi/c1-4-9(12)10(13(2)3)7-5-6-8-11-10/h9,12-13H,4-8H2,1-3H3.
What are the key properties of 1-(2-dimethylsilyloxan-2-yl)propane-1-thiol?
1-(2-dimethylsilyloxan-2-yl)propane-1-thiol has a molecular weight of 218.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dimethylsilyloxan-2-yl)propane-1-thiol is sourced from PubChem (CID 173222317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).