trimethyl(1-phenylsulfanylpentyl)silane

C14H24SSi — CID 12572042

IUPACtrimethyl(1-phenylsulfanylpentyl)silane
SMILESCCCCC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H24SSi/c1-5-6-12-14(16(2,3)4)15-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3
InChIKeyZAYZIGRPUJBTPJ-UHFFFAOYSA-N
MW252.50 g/mol
LogP5.21
Rot. Bonds6

About trimethyl(1-phenylsulfanylpentyl)silane

trimethyl(1-phenylsulfanylpentyl)silane (PubChem CID 12572042) has the molecular formula C14H24SSi and a molecular weight of 252.50 g/mol. Its IUPAC name is trimethyl(1-phenylsulfanylpentyl)silane.

Molecular Properties

Compound Nametrimethyl(1-phenylsulfanylpentyl)silane
PubChem CID12572042
Molecular FormulaC14H24SSi
Molecular Weight252.50 g/mol
Exact Mass252.14
IUPAC Nametrimethyl(1-phenylsulfanylpentyl)silane
SMILESCCCCC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H24SSi/c1-5-6-12-14(16(2,3)4)15-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3
InChIKeyZAYZIGRPUJBTPJ-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.50
LogP ≤ 55.21
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

Thioanisole
CID 7520
Phenyl Vinyl Sulfide
CID 74572
(Ethylthio)benzene
CID 12144
Phenyl propyl sulfide
CID 13407
Phenylthiotrimethylsilane
CID 78312
Cyclopropyl phenyl sulfide
CID 123348
S-Allylthiobenzene
CID 79180
Benzene, (butylthio)-
CID 136905
Ethylphenylsulfoxide
CID 138143
Prenylphenyl sulfide
CID 329234
Silane, trimethyl((phenylthio)methyl)-
CID 140295
Phenyl Trimethylsilylmethyl Sulfone
CID 3290840

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-phenylsulfanylpentyl)silane?
The IUPAC name of trimethyl(1-phenylsulfanylpentyl)silane (CID 12572042) is trimethyl(1-phenylsulfanylpentyl)silane.
What is the SMILES notation for trimethyl(1-phenylsulfanylpentyl)silane?
The canonical SMILES for trimethyl(1-phenylsulfanylpentyl)silane is CCCCC(Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl(1-phenylsulfanylpentyl)silane?
The InChIKey is ZAYZIGRPUJBTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24SSi/c1-5-6-12-14(16(2,3)4)15-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3.
What are the key properties of trimethyl(1-phenylsulfanylpentyl)silane?
trimethyl(1-phenylsulfanylpentyl)silane has a molecular weight of 252.50 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phenylsulfanylpentyl)silane is sourced from PubChem (CID 12572042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).