19-silylnonadecane-1-thiol

C19H42SSi — CID 172722260

IUPAC19-silylnonadecane-1-thiol
SMILES[SiH3]CCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C19H42SSi/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21/h20H,1-19H2,21H3
InChIKeyGREWODVNDYIXJS-UHFFFAOYSA-N
MW330.70 g/mol
LogP6.33
Rot. Bonds18

About 19-silylnonadecane-1-thiol

19-silylnonadecane-1-thiol (PubChem CID 172722260) has the molecular formula C19H42SSi and a molecular weight of 330.70 g/mol. Its IUPAC name is 19-silylnonadecane-1-thiol.

Molecular Properties

Compound Name19-silylnonadecane-1-thiol
PubChem CID172722260
Molecular FormulaC19H42SSi
Molecular Weight330.70 g/mol
Exact Mass330.28
IUPAC Name19-silylnonadecane-1-thiol
SMILES[SiH3]CCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C19H42SSi/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21/h20H,1-19H2,21H3
InChIKeyGREWODVNDYIXJS-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 56.33
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 19-silylnonadecane-1-thiol?
The IUPAC name of 19-silylnonadecane-1-thiol (CID 172722260) is 19-silylnonadecane-1-thiol.
What is the SMILES notation for 19-silylnonadecane-1-thiol?
The canonical SMILES for 19-silylnonadecane-1-thiol is [SiH3]CCCCCCCCCCCCCCCCCCCS.
What is the InChIKey of 19-silylnonadecane-1-thiol?
The InChIKey is GREWODVNDYIXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42SSi/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21/h20H,1-19H2,21H3.
What are the key properties of 19-silylnonadecane-1-thiol?
19-silylnonadecane-1-thiol has a molecular weight of 330.70 g/mol, XLogP of 6.33, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-silylnonadecane-1-thiol is sourced from PubChem (CID 172722260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).