trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane

C14H24SSi — CID 12572043

IUPACtrimethyl-(2-methyl-1-phenylsulfanylbutyl)silane
SMILESCCC(C)C(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H24SSi/c1-6-12(2)14(16(3,4)5)15-13-10-8-7-9-11-13/h7-12,14H,6H2,1-5H3
InChIKeyKYQXLWOXGPRDGR-UHFFFAOYSA-N
MW252.50 g/mol
LogP5.07
Rot. Bonds5

About trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane

trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane (PubChem CID 12572043) has the molecular formula C14H24SSi and a molecular weight of 252.50 g/mol. Its IUPAC name is trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane.

Molecular Properties

Compound Nametrimethyl-(2-methyl-1-phenylsulfanylbutyl)silane
PubChem CID12572043
Molecular FormulaC14H24SSi
Molecular Weight252.50 g/mol
Exact Mass252.14
IUPAC Nametrimethyl-(2-methyl-1-phenylsulfanylbutyl)silane
SMILESCCC(C)C(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H24SSi/c1-6-12(2)14(16(3,4)5)15-13-10-8-7-9-11-13/h7-12,14H,6H2,1-5H3
InChIKeyKYQXLWOXGPRDGR-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.50
LogP ≤ 55.07
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

(Ethylthio)benzene
CID 12144
Phenyl propyl sulfide
CID 13407
S-Allylthiobenzene
CID 79180
Benzene, (butylthio)-
CID 136905
Prenylphenyl sulfide
CID 329234
Silane, trimethyl((phenylthio)methyl)-
CID 140295
(E)-Phenyl-1-propenylsulfide
CID 5373102
((1-Methylethyl)thio)benzene
CID 76397
Isobutylthiobenzene
CID 83327
((1,1-Dimethylethyl)thio)benzene
CID 137798
1-(Trimethylsilyl)cyclopropyl phenyl sulfide
CID 552870
trans-1-(Phenylthio)-2-butene
CID 5463155

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane?
The IUPAC name of trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane (CID 12572043) is trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane.
What is the SMILES notation for trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane?
The canonical SMILES for trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane is CCC(C)C(Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane?
The InChIKey is KYQXLWOXGPRDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24SSi/c1-6-12(2)14(16(3,4)5)15-13-10-8-7-9-11-13/h7-12,14H,6H2,1-5H3.
What are the key properties of trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane?
trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane has a molecular weight of 252.50 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-methyl-1-phenylsulfanylbutyl)silane is sourced from PubChem (CID 12572043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).