13-silyltridecane-1-thiol

C13H30SSi — CID 172830845

IUPAC13-silyltridecane-1-thiol
SMILES[SiH3]CCCCCCCCCCCCCS
InChIInChI=1S/C13H30SSi/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h14H,1-13H2,15H3
InChIKeyVMJICGLXNNFNFJ-UHFFFAOYSA-N
MW246.54 g/mol
LogP3.99
Rot. Bonds12

About 13-silyltridecane-1-thiol

13-silyltridecane-1-thiol (PubChem CID 172830845) has the molecular formula C13H30SSi and a molecular weight of 246.54 g/mol. Its IUPAC name is 13-silyltridecane-1-thiol.

Molecular Properties

Compound Name13-silyltridecane-1-thiol
PubChem CID172830845
Molecular FormulaC13H30SSi
Molecular Weight246.54 g/mol
Exact Mass246.18
IUPAC Name13-silyltridecane-1-thiol
SMILES[SiH3]CCCCCCCCCCCCCS
InChIInChI=1S/C13H30SSi/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h14H,1-13H2,15H3
InChIKeyVMJICGLXNNFNFJ-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 13-silyltridecane-1-thiol?
The IUPAC name of 13-silyltridecane-1-thiol (CID 172830845) is 13-silyltridecane-1-thiol.
What is the SMILES notation for 13-silyltridecane-1-thiol?
The canonical SMILES for 13-silyltridecane-1-thiol is [SiH3]CCCCCCCCCCCCCS.
What is the InChIKey of 13-silyltridecane-1-thiol?
The InChIKey is VMJICGLXNNFNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30SSi/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h14H,1-13H2,15H3.
What are the key properties of 13-silyltridecane-1-thiol?
13-silyltridecane-1-thiol has a molecular weight of 246.54 g/mol, XLogP of 3.99, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-silyltridecane-1-thiol is sourced from PubChem (CID 172830845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).