CID 123516746

C3H9SSi — CID 123516746

IUPAC—
SMILES[SiH2]CCCS
InChIInChI=1S/C3H9SSi/c4-2-1-3-5/h4H,1-3,5H2
InChIKeyNYJXYYCIMFYXJU-UHFFFAOYSA-N
MW105.26 g/mol
LogP0.36
Rot. Bonds2

About CID 123516746

CID 123516746 (PubChem CID 123516746) has the molecular formula C3H9SSi and a molecular weight of 105.26 g/mol.

Molecular Properties

Compound NameCID 123516746
PubChem CID123516746
Molecular FormulaC3H9SSi
Molecular Weight105.26 g/mol
Exact Mass105.02
IUPAC Name—
SMILES[SiH2]CCCS
InChIInChI=1S/C3H9SSi/c4-2-1-3-5/h4H,1-3,5H2
InChIKeyNYJXYYCIMFYXJU-UHFFFAOYSA-N
XLogP0.36
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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CID 15806584
Mercaptopropyl silane
CID 57350108
3-Tris(sulfanyl)silylpropane-1-thiol
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3-Methylsilylpropane-1-thiol
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3-Dimethylsilylpropane-1-thiol
CID 122213464
2-Silylethanethiol
CID 123571072
3-(Disilanyl)propane-1-thiol
CID 123642234
2-Silylethane-1,1,1,2-tetrathiol
CID 123644315
3-Hydroxysilylpropane-1-thiol
CID 123679132
3-Sulfanylsulfonodithioylpropylsilane
CID 123721581
CID 123881486
CID 123881486
3-Dichlorosilylpropane-1-thiol
CID 123973101

Frequently Asked Questions

What is the IUPAC name of CID 123516746?
The IUPAC name of CID 123516746 (CID 123516746) is not available.
What is the SMILES notation for CID 123516746?
The canonical SMILES for CID 123516746 is [SiH2]CCCS.
What is the InChIKey of CID 123516746?
The InChIKey is NYJXYYCIMFYXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9SSi/c4-2-1-3-5/h4H,1-3,5H2.
What are the key properties of CID 123516746?
CID 123516746 has a molecular weight of 105.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123516746 is sourced from PubChem (CID 123516746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).