3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane

C12H19FSSi — CID 162407287

IUPAC3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane
SMILESC[Si](C)(C)CCCSc1ccc(F)cc1
InChIInChI=1S/C12H19FSSi/c1-15(2,3)10-4-9-14-12-7-5-11(13)6-8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyMLXBXVJQVGUPDB-UHFFFAOYSA-N
MW242.44 g/mol
LogP4.65
Rot. Bonds5

About 3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane

3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane (PubChem CID 162407287) has the molecular formula C12H19FSSi and a molecular weight of 242.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane
PubChem CID162407287
Molecular FormulaC12H19FSSi
Molecular Weight242.44 g/mol
Exact Mass242.10
IUPAC Name3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane
SMILESC[Si](C)(C)CCCSc1ccc(F)cc1
InChIInChI=1S/C12H19FSSi/c1-15(2,3)10-4-9-14-12-7-5-11(13)6-8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyMLXBXVJQVGUPDB-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Ethylthio)benzene
CID 12144
Phenyl propyl sulfide
CID 13407
1-Fluoro-4-(methylthio)benzene
CID 3083565
S-Allylthiobenzene
CID 79180
Benzene, (butylthio)-
CID 136905
2-Fluorothioanisole
CID 2774762
Silane, trimethyl((phenylthio)methyl)-
CID 140295
(E)-Phenyl-1-propenylsulfide
CID 5373102
((1-Methylethyl)thio)benzene
CID 76397
1-(Trimethylsilyl)cyclopropyl phenyl sulfide
CID 552870
3-Fluorothioanisole
CID 2759164
(1-Difluoromethylene-hexylsulfanyl)-benzene
CID 12586997

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane?
The IUPAC name of 3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane (CID 162407287) is 3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane?
The canonical SMILES for 3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane is C[Si](C)(C)CCCSc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane?
The InChIKey is MLXBXVJQVGUPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FSSi/c1-15(2,3)10-4-9-14-12-7-5-11(13)6-8-12/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane?
3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane has a molecular weight of 242.44 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanylpropyl-trimethylsilane is sourced from PubChem (CID 162407287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).