CID 119080104

C22H19SSi — CID 119080104

IUPAC—
SMILESc1ccc([Si](CCc2csc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C22H19SSi/c1-3-9-19(10-4-1)24(20-11-5-2-6-12-20)16-15-18-17-23-22-14-8-7-13-21(18)22/h1-14,17H,15-16H2
InChIKeyOWUSXNPYFZWEOZ-UHFFFAOYSA-N
MW343.55 g/mol
LogP4.75
Rot. Bonds5

About CID 119080104

CID 119080104 (PubChem CID 119080104) has the molecular formula C22H19SSi and a molecular weight of 343.55 g/mol.

Molecular Properties

Compound NameCID 119080104
PubChem CID119080104
Molecular FormulaC22H19SSi
Molecular Weight343.55 g/mol
Exact Mass343.10
IUPAC Name—
SMILESc1ccc([Si](CCc2csc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C22H19SSi/c1-3-9-19(10-4-1)24(20-11-5-2-6-12-20)16-15-18-17-23-22-14-8-7-13-21(18)22/h1-14,17H,15-16H2
InChIKeyOWUSXNPYFZWEOZ-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-N-[2-(1-benzothiophen-3-yl)ethyl]propane-1,2,3-triamine
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Frequently Asked Questions

What is the IUPAC name of CID 119080104?
The IUPAC name of CID 119080104 (CID 119080104) is not available.
What is the SMILES notation for CID 119080104?
The canonical SMILES for CID 119080104 is c1ccc([Si](CCc2csc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of CID 119080104?
The InChIKey is OWUSXNPYFZWEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19SSi/c1-3-9-19(10-4-1)24(20-11-5-2-6-12-20)16-15-18-17-23-22-14-8-7-13-21(18)22/h1-14,17H,15-16H2.
What are the key properties of CID 119080104?
CID 119080104 has a molecular weight of 343.55 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119080104 is sourced from PubChem (CID 119080104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).