[chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane

C15H17ClSSi — CID 44542727

IUPAC[chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)C(Cl)Sc1ccccc1
InChIInChI=1S/C15H17ClSSi/c1-18(2,14-11-7-4-8-12-14)15(16)17-13-9-5-3-6-10-13/h3-12,15H,1-2H3
InChIKeyYCOIBVWTAJNTML-UHFFFAOYSA-N
MW292.91 g/mol
LogP4.50
Rot. Bonds4

About [chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane

[chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane (PubChem CID 44542727) has the molecular formula C15H17ClSSi and a molecular weight of 292.91 g/mol. Its IUPAC name is [chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane
PubChem CID44542727
Molecular FormulaC15H17ClSSi
Molecular Weight292.91 g/mol
Exact Mass292.05
IUPAC Name[chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)C(Cl)Sc1ccccc1
InChIInChI=1S/C15H17ClSSi/c1-18(2,14-11-7-4-8-12-14)15(16)17-13-9-5-3-6-10-13/h3-12,15H,1-2H3
InChIKeyYCOIBVWTAJNTML-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.91
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane?
The IUPAC name of [chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane (CID 44542727) is [chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane.
What is the SMILES notation for [chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane?
The canonical SMILES for [chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)C(Cl)Sc1ccccc1.
What is the InChIKey of [chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane?
The InChIKey is YCOIBVWTAJNTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClSSi/c1-18(2,14-11-7-4-8-12-14)15(16)17-13-9-5-3-6-10-13/h3-12,15H,1-2H3.
What are the key properties of [chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane?
[chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane has a molecular weight of 292.91 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(phenylsulfanyl)methyl]-dimethyl-phenylsilane is sourced from PubChem (CID 44542727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).