O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate

C22H20O2SSi — CID 21417857

IUPACO-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate
SMILESC[Si](C)(c1ccccc1)c1ccc(C(=O)c2ccc(OC=S)cc2)cc1
InChIInChI=1S/C22H20O2SSi/c1-26(2,20-6-4-3-5-7-20)21-14-10-18(11-15-21)22(23)17-8-12-19(13-9-17)24-16-25/h3-16H,1-2H3
InChIKeyMEDRHDCQOSNQJR-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.08
Rot. Bonds6

About O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate

O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate (PubChem CID 21417857) has the molecular formula C22H20O2SSi and a molecular weight of 376.55 g/mol. Its IUPAC name is O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate.

Molecular Properties

Compound NameO-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate
PubChem CID21417857
Molecular FormulaC22H20O2SSi
Molecular Weight376.55 g/mol
Exact Mass376.10
IUPAC NameO-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate
SMILESC[Si](C)(c1ccccc1)c1ccc(C(=O)c2ccc(OC=S)cc2)cc1
InChIInChI=1S/C22H20O2SSi/c1-26(2,20-6-4-3-5-7-20)21-14-10-18(11-15-21)22(23)17-8-12-19(13-9-17)24-16-25/h3-16H,1-2H3
InChIKeyMEDRHDCQOSNQJR-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
3-[dimethyl(phenyl)silyl]benzoic acid
CID 134100094
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335

Frequently Asked Questions

What is the IUPAC name of O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate?
The IUPAC name of O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate (CID 21417857) is O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate.
What is the SMILES notation for O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate?
The canonical SMILES for O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate is C[Si](C)(c1ccccc1)c1ccc(C(=O)c2ccc(OC=S)cc2)cc1.
What is the InChIKey of O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate?
The InChIKey is MEDRHDCQOSNQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2SSi/c1-26(2,20-6-4-3-5-7-20)21-14-10-18(11-15-21)22(23)17-8-12-19(13-9-17)24-16-25/h3-16H,1-2H3.
What are the key properties of O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate?
O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate has a molecular weight of 376.55 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate is sourced from PubChem (CID 21417857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).