2-dichlorosilylbutane-2-thiol

C4H10Cl2SSi — CID 175200105

IUPAC2-dichlorosilylbutane-2-thiol
SMILESCCC(C)(S)[SiH](Cl)Cl
InChIInChI=1S/C4H10Cl2SSi/c1-3-4(2,7)8(5)6/h7-8H,3H2,1-2H3
InChIKeyPJIMPTKKYRJGKY-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.32
Rot. Bonds2

About 2-dichlorosilylbutane-2-thiol

2-dichlorosilylbutane-2-thiol (PubChem CID 175200105) has the molecular formula C4H10Cl2SSi and a molecular weight of 189.18 g/mol. Its IUPAC name is 2-dichlorosilylbutane-2-thiol.

Molecular Properties

Compound Name2-dichlorosilylbutane-2-thiol
PubChem CID175200105
Molecular FormulaC4H10Cl2SSi
Molecular Weight189.18 g/mol
Exact Mass187.96
IUPAC Name2-dichlorosilylbutane-2-thiol
SMILESCCC(C)(S)[SiH](Cl)Cl
InChIInChI=1S/C4H10Cl2SSi/c1-3-4(2,7)8(5)6/h7-8H,3H2,1-2H3
InChIKeyPJIMPTKKYRJGKY-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.32
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 2-dichlorosilylbutane-2-thiol?
The IUPAC name of 2-dichlorosilylbutane-2-thiol (CID 175200105) is 2-dichlorosilylbutane-2-thiol.
What is the SMILES notation for 2-dichlorosilylbutane-2-thiol?
The canonical SMILES for 2-dichlorosilylbutane-2-thiol is CCC(C)(S)[SiH](Cl)Cl.
What is the InChIKey of 2-dichlorosilylbutane-2-thiol?
The InChIKey is PJIMPTKKYRJGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Cl2SSi/c1-3-4(2,7)8(5)6/h7-8H,3H2,1-2H3.
What are the key properties of 2-dichlorosilylbutane-2-thiol?
2-dichlorosilylbutane-2-thiol has a molecular weight of 189.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dichlorosilylbutane-2-thiol is sourced from PubChem (CID 175200105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).