2-phenylselanylpropan-2-ylsulfanylbenzene

C15H16SSe — CID 14295215

IUPAC2-phenylselanylpropan-2-ylsulfanylbenzene
SMILESCC(C)(Sc1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C15H16SSe/c1-15(2,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyKCKVMTHZCKFPSR-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.54
Rot. Bonds4

About 2-phenylselanylpropan-2-ylsulfanylbenzene

2-phenylselanylpropan-2-ylsulfanylbenzene (PubChem CID 14295215) has the molecular formula C15H16SSe and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-phenylselanylpropan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name2-phenylselanylpropan-2-ylsulfanylbenzene
PubChem CID14295215
Molecular FormulaC15H16SSe
Molecular Weight307.32 g/mol
Exact Mass308.01
IUPAC Name2-phenylselanylpropan-2-ylsulfanylbenzene
SMILESCC(C)(Sc1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C15H16SSe/c1-15(2,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyKCKVMTHZCKFPSR-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.54
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

Thioanisole
CID 7520
Diphenyl sulfide
CID 8766
Diphenyl sulfoxide
CID 13679
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
(Ethylthio)benzene
CID 12144
Phenyl propyl sulfide
CID 13407
1,1'-(Methylenebis(thio))bis(benzene)
CID 77097
S-Allylthiobenzene
CID 79180
4,4'-Thiobisbenzenethiol
CID 619483
Benzene, (butylthio)-
CID 136905
Prenylphenyl sulfide
CID 329234
S,S-Diphenylsulfilimine
CID 608422

Frequently Asked Questions

What is the IUPAC name of 2-phenylselanylpropan-2-ylsulfanylbenzene?
The IUPAC name of 2-phenylselanylpropan-2-ylsulfanylbenzene (CID 14295215) is 2-phenylselanylpropan-2-ylsulfanylbenzene.
What is the SMILES notation for 2-phenylselanylpropan-2-ylsulfanylbenzene?
The canonical SMILES for 2-phenylselanylpropan-2-ylsulfanylbenzene is CC(C)(Sc1ccccc1)[Se]c1ccccc1.
What is the InChIKey of 2-phenylselanylpropan-2-ylsulfanylbenzene?
The InChIKey is KCKVMTHZCKFPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16SSe/c1-15(2,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 2-phenylselanylpropan-2-ylsulfanylbenzene?
2-phenylselanylpropan-2-ylsulfanylbenzene has a molecular weight of 307.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanylpropan-2-ylsulfanylbenzene is sourced from PubChem (CID 14295215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).