[4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane

C25H26S2Si — CID 10884277

IUPAC[4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane
SMILESCSC1(SC)CC=C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C25H26S2Si/c1-26-25(27-2)19-18-24(20-25)28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18H,19-20H2,1-2H3
InChIKeyPZVKRKKZWBJXBN-UHFFFAOYSA-N
MW418.70 g/mol
LogP4.84
Rot. Bonds6

About [4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane

[4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane (PubChem CID 10884277) has the molecular formula C25H26S2Si and a molecular weight of 418.70 g/mol. Its IUPAC name is [4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane.

Molecular Properties

Compound Name[4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane
PubChem CID10884277
Molecular FormulaC25H26S2Si
Molecular Weight418.70 g/mol
Exact Mass418.12
IUPAC Name[4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane
SMILESCSC1(SC)CC=C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C25H26S2Si/c1-26-25(27-2)19-18-24(20-25)28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18H,19-20H2,1-2H3
InChIKeyPZVKRKKZWBJXBN-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.70
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane?
The IUPAC name of [4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane (CID 10884277) is [4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane.
What is the SMILES notation for [4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane?
The canonical SMILES for [4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane is CSC1(SC)CC=C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane?
The InChIKey is PZVKRKKZWBJXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26S2Si/c1-26-25(27-2)19-18-24(20-25)28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18H,19-20H2,1-2H3.
What are the key properties of [4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane?
[4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane has a molecular weight of 418.70 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-bis(methylsulfanyl)cyclopenten-1-yl]-triphenylsilane is sourced from PubChem (CID 10884277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).