diphenyl(propan-2-ylidene)-λ4-sulfane

C15H16S — CID 11138905

IUPACdiphenyl(propan-2-ylidene)-λ4-sulfane
SMILESCC(C)=S(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16S/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyKQUICRUYRJSYKC-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.59
Rot. Bonds2

About diphenyl(propan-2-ylidene)-λ4-sulfane

diphenyl(propan-2-ylidene)-λ4-sulfane (PubChem CID 11138905) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is diphenyl(propan-2-ylidene)-λ4-sulfane.

Molecular Properties

Compound Namediphenyl(propan-2-ylidene)-λ4-sulfane
PubChem CID11138905
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Namediphenyl(propan-2-ylidene)-λ4-sulfane
SMILESCC(C)=S(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16S/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyKQUICRUYRJSYKC-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenyl(propan-2-ylidene)-λ4-sulfane?
The IUPAC name of diphenyl(propan-2-ylidene)-λ4-sulfane (CID 11138905) is diphenyl(propan-2-ylidene)-λ4-sulfane.
What is the SMILES notation for diphenyl(propan-2-ylidene)-λ4-sulfane?
The canonical SMILES for diphenyl(propan-2-ylidene)-λ4-sulfane is CC(C)=S(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl(propan-2-ylidene)-λ4-sulfane?
The InChIKey is KQUICRUYRJSYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3.
What are the key properties of diphenyl(propan-2-ylidene)-λ4-sulfane?
diphenyl(propan-2-ylidene)-λ4-sulfane has a molecular weight of 228.36 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(propan-2-ylidene)-λ4-sulfane is sourced from PubChem (CID 11138905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).