4-(2-silyl-2-sulfanylethoxy)butane-1-thiol

C6H16OS2Si — CID 175153051

IUPAC4-(2-silyl-2-sulfanylethoxy)butane-1-thiol
SMILES[SiH3]C(S)COCCCCS
InChIInChI=1S/C6H16OS2Si/c8-4-2-1-3-7-5-6(9)10/h6,8-9H,1-5H2,10H3
InChIKeyRDHGDCUOZMGQSW-UHFFFAOYSA-N
MW196.41 g/mol
LogP0.33
Rot. Bonds6

About 4-(2-silyl-2-sulfanylethoxy)butane-1-thiol

4-(2-silyl-2-sulfanylethoxy)butane-1-thiol (PubChem CID 175153051) has the molecular formula C6H16OS2Si and a molecular weight of 196.41 g/mol. Its IUPAC name is 4-(2-silyl-2-sulfanylethoxy)butane-1-thiol.

Molecular Properties

Compound Name4-(2-silyl-2-sulfanylethoxy)butane-1-thiol
PubChem CID175153051
Molecular FormulaC6H16OS2Si
Molecular Weight196.41 g/mol
Exact Mass196.04
IUPAC Name4-(2-silyl-2-sulfanylethoxy)butane-1-thiol
SMILES[SiH3]C(S)COCCCCS
InChIInChI=1S/C6H16OS2Si/c8-4-2-1-3-7-5-6(9)10/h6,8-9H,1-5H2,10H3
InChIKeyRDHGDCUOZMGQSW-UHFFFAOYSA-N
XLogP0.33
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.41
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(2-silyl-2-sulfanylethoxy)butane-1-thiol?
The IUPAC name of 4-(2-silyl-2-sulfanylethoxy)butane-1-thiol (CID 175153051) is 4-(2-silyl-2-sulfanylethoxy)butane-1-thiol.
What is the SMILES notation for 4-(2-silyl-2-sulfanylethoxy)butane-1-thiol?
The canonical SMILES for 4-(2-silyl-2-sulfanylethoxy)butane-1-thiol is [SiH3]C(S)COCCCCS.
What is the InChIKey of 4-(2-silyl-2-sulfanylethoxy)butane-1-thiol?
The InChIKey is RDHGDCUOZMGQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16OS2Si/c8-4-2-1-3-7-5-6(9)10/h6,8-9H,1-5H2,10H3.
What are the key properties of 4-(2-silyl-2-sulfanylethoxy)butane-1-thiol?
4-(2-silyl-2-sulfanylethoxy)butane-1-thiol has a molecular weight of 196.41 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-silyl-2-sulfanylethoxy)butane-1-thiol is sourced from PubChem (CID 175153051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).