3-dichlorosilylpropane-1-thiol

C3H8Cl2SSi — CID 123973101

IUPAC3-dichlorosilylpropane-1-thiol
SMILESSCCC[SiH](Cl)Cl
InChIInChI=1S/C3H8Cl2SSi/c4-7(5)3-1-2-6/h6-7H,1-3H2
InChIKeyLJYBWKDHOJBEPE-UHFFFAOYSA-N
MW175.16 g/mol
LogP2.00
Rot. Bonds3

About 3-dichlorosilylpropane-1-thiol

3-dichlorosilylpropane-1-thiol (PubChem CID 123973101) has the molecular formula C3H8Cl2SSi and a molecular weight of 175.16 g/mol. Its IUPAC name is 3-dichlorosilylpropane-1-thiol.

Molecular Properties

Compound Name3-dichlorosilylpropane-1-thiol
PubChem CID123973101
Molecular FormulaC3H8Cl2SSi
Molecular Weight175.16 g/mol
Exact Mass173.95
IUPAC Name3-dichlorosilylpropane-1-thiol
SMILESSCCC[SiH](Cl)Cl
InChIInChI=1S/C3H8Cl2SSi/c4-7(5)3-1-2-6/h6-7H,1-3H2
InChIKeyLJYBWKDHOJBEPE-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-dichlorosilylpropane-1-thiol?
The IUPAC name of 3-dichlorosilylpropane-1-thiol (CID 123973101) is 3-dichlorosilylpropane-1-thiol.
What is the SMILES notation for 3-dichlorosilylpropane-1-thiol?
The canonical SMILES for 3-dichlorosilylpropane-1-thiol is SCCC[SiH](Cl)Cl.
What is the InChIKey of 3-dichlorosilylpropane-1-thiol?
The InChIKey is LJYBWKDHOJBEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8Cl2SSi/c4-7(5)3-1-2-6/h6-7H,1-3H2.
What are the key properties of 3-dichlorosilylpropane-1-thiol?
3-dichlorosilylpropane-1-thiol has a molecular weight of 175.16 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dichlorosilylpropane-1-thiol is sourced from PubChem (CID 123973101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).