trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane

C19H24SSi — CID 11347500

IUPACtrimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane
SMILESC=CC(c1ccccc1)C(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H24SSi/c1-5-18(16-12-8-6-9-13-16)19(21(2,3)4)20-17-14-10-7-11-15-17/h5-15,18-19H,1H2,2-4H3
InChIKeyGIWUDQKJXZAXQS-UHFFFAOYSA-N
MW312.55 g/mol
LogP5.99
Rot. Bonds6

About trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane

trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane (PubChem CID 11347500) has the molecular formula C19H24SSi and a molecular weight of 312.55 g/mol. Its IUPAC name is trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane.

Molecular Properties

Compound Nametrimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane
PubChem CID11347500
Molecular FormulaC19H24SSi
Molecular Weight312.55 g/mol
Exact Mass312.14
IUPAC Nametrimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane
SMILESC=CC(c1ccccc1)C(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H24SSi/c1-5-18(16-12-8-6-9-13-16)19(21(2,3)4)20-17-14-10-7-11-15-17/h5-15,18-19H,1H2,2-4H3
InChIKeyGIWUDQKJXZAXQS-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.55
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyl phenyl sulfide
CID 13255
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
4,4'-Bis(ethylthio)biphenyl
CID 4026825
4-tert-Butyldiphenyl sulfide
CID 11413822
1,1'-(Sulfanediyldi(ethane-1,1-diyl))dibenzene
CID 248893
1,2-Bis(p-tolylthio)ethane
CID 220235
Benzhydrylsulfanylbenzene
CID 225271
1,5-Bis(4-methylphenylthio)pentane
CID 1781786
Ethane, 1-phenyl-1-(phenylthio)-
CID 570103
Benzene, [(3-phenyl-2-propenyl)thio]-
CID 5370613

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane?
The IUPAC name of trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane (CID 11347500) is trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane.
What is the SMILES notation for trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane?
The canonical SMILES for trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane is C=CC(c1ccccc1)C(Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane?
The InChIKey is GIWUDQKJXZAXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24SSi/c1-5-18(16-12-8-6-9-13-16)19(21(2,3)4)20-17-14-10-7-11-15-17/h5-15,18-19H,1H2,2-4H3.
What are the key properties of trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane?
trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane has a molecular weight of 312.55 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-phenyl-1-phenylsulfanylbut-3-enyl)silane is sourced from PubChem (CID 11347500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).