1-ethyl-3-(2-tritylsulfanylethyl)benzene

C29H28S — CID 130222223

IUPAC1-ethyl-3-(2-tritylsulfanylethyl)benzene
SMILESCCc1cccc(CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H28S/c1-2-24-13-12-14-25(23-24)21-22-30-29(26-15-6-3-7-16-26,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-20,23H,2,21-22H2,1H3
InChIKeyRNVGDPZQCURTNN-UHFFFAOYSA-N
MW408.61 g/mol
LogP7.52
Rot. Bonds8

About 1-ethyl-3-(2-tritylsulfanylethyl)benzene

1-ethyl-3-(2-tritylsulfanylethyl)benzene (PubChem CID 130222223) has the molecular formula C29H28S and a molecular weight of 408.61 g/mol. Its IUPAC name is 1-ethyl-3-(2-tritylsulfanylethyl)benzene.

Molecular Properties

Compound Name1-ethyl-3-(2-tritylsulfanylethyl)benzene
PubChem CID130222223
Molecular FormulaC29H28S
Molecular Weight408.61 g/mol
Exact Mass408.19
IUPAC Name1-ethyl-3-(2-tritylsulfanylethyl)benzene
SMILESCCc1cccc(CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H28S/c1-2-24-13-12-14-25(23-24)21-22-30-29(26-15-6-3-7-16-26,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-20,23H,2,21-22H2,1H3
InChIKeyRNVGDPZQCURTNN-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.61
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
CID 142077285
(3,5-ditert-butylphenyl)methyl-(2-tritylsulfanylethyl)azanium
CID 102356996
2-tritylsulfanylethanethiol
CID 59035458
2-(3-ethylphenyl)ethyl-diphenylphosphane
CID 150107410
2-[(4-ethylphenyl)methylsulfanyl-diphenylmethyl]naphthalene
CID 129276072
1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene
CID 59692130
ethylcyclodecapentaene
CID 90861705
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene
CID 91471137
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
ethane;1-ethyl-3-(3-methylbutyl)benzene
CID 143683822

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-tritylsulfanylethyl)benzene?
The IUPAC name of 1-ethyl-3-(2-tritylsulfanylethyl)benzene (CID 130222223) is 1-ethyl-3-(2-tritylsulfanylethyl)benzene.
What is the SMILES notation for 1-ethyl-3-(2-tritylsulfanylethyl)benzene?
The canonical SMILES for 1-ethyl-3-(2-tritylsulfanylethyl)benzene is CCc1cccc(CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-ethyl-3-(2-tritylsulfanylethyl)benzene?
The InChIKey is RNVGDPZQCURTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28S/c1-2-24-13-12-14-25(23-24)21-22-30-29(26-15-6-3-7-16-26,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-20,23H,2,21-22H2,1H3.
What are the key properties of 1-ethyl-3-(2-tritylsulfanylethyl)benzene?
1-ethyl-3-(2-tritylsulfanylethyl)benzene has a molecular weight of 408.61 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-tritylsulfanylethyl)benzene is sourced from PubChem (CID 130222223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).