tert-butyl(triphenyl)-λ4-sulfane

C22H24S — CID 68720156

IUPACtert-butyl(triphenyl)-λ4-sulfane
SMILESCC(C)(C)S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24S/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKeyOASBRIVHIMJKAU-UHFFFAOYSA-N
MW320.50 g/mol
LogP6.77
Rot. Bonds3

About tert-butyl(triphenyl)-λ4-sulfane

tert-butyl(triphenyl)-λ4-sulfane (PubChem CID 68720156) has the molecular formula C22H24S and a molecular weight of 320.50 g/mol. Its IUPAC name is tert-butyl(triphenyl)-λ4-sulfane.

Molecular Properties

Compound Nametert-butyl(triphenyl)-λ4-sulfane
PubChem CID68720156
Molecular FormulaC22H24S
Molecular Weight320.50 g/mol
Exact Mass320.16
IUPAC Nametert-butyl(triphenyl)-λ4-sulfane
SMILESCC(C)(C)S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24S/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKeyOASBRIVHIMJKAU-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tert-butyl(triphenyl)-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diphenyl sulfide
CID 8766
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
Alpha,alpha-bis(phenylthio)toluene
CID 608010
S,S-Diphenylsulfilimine
CID 608422
Phosphine, tris(p-methylthiophenyl)-
CID 207408
Arsenotrithious acid triphenyl ester
CID 193333
Tris(phenylthio)methane
CID 615706
Triphenylsulfonium chloride
CID 61343
Sulfonium, triphenyl-, hexafluorophosphate(1-) (1:1)
CID 93819
Sulfonium, triphenyl-, (OC-6-11)-hexafluoroantimonate(1-) (1:1)
CID 93820
Sulfonium, triphenyl-, hexafluoroarsenate(1-) (1:1)
CID 93839
1-Propene, 3,3,3-Trifluoro-1,1,2-tris(phenylthio)-
CID 616198

Frequently Asked Questions

What is the IUPAC name of tert-butyl(triphenyl)-λ4-sulfane?
The IUPAC name of tert-butyl(triphenyl)-λ4-sulfane (CID 68720156) is tert-butyl(triphenyl)-λ4-sulfane.
What is the SMILES notation for tert-butyl(triphenyl)-λ4-sulfane?
The canonical SMILES for tert-butyl(triphenyl)-λ4-sulfane is CC(C)(C)S(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl(triphenyl)-λ4-sulfane?
The InChIKey is OASBRIVHIMJKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24S/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3.
What are the key properties of tert-butyl(triphenyl)-λ4-sulfane?
tert-butyl(triphenyl)-λ4-sulfane has a molecular weight of 320.50 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(triphenyl)-λ4-sulfane is sourced from PubChem (CID 68720156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).