2-phenylselanylethynylsulfanylbenzene

C14H10SSe — CID 14640001

IUPAC2-phenylselanylethynylsulfanylbenzene
SMILESC(#C[Se]c1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H10SSe/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H
InChIKeySDYHOLUPIUDPLN-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.73
Rot. Bonds2

About 2-phenylselanylethynylsulfanylbenzene

2-phenylselanylethynylsulfanylbenzene (PubChem CID 14640001) has the molecular formula C14H10SSe and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-phenylselanylethynylsulfanylbenzene.

Molecular Properties

Compound Name2-phenylselanylethynylsulfanylbenzene
PubChem CID14640001
Molecular FormulaC14H10SSe
Molecular Weight289.26 g/mol
Exact Mass289.97
IUPAC Name2-phenylselanylethynylsulfanylbenzene
SMILESC(#C[Se]c1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H10SSe/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H
InChIKeySDYHOLUPIUDPLN-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-phenylselanylethynylsulfanylbenzene 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

4-methylpent-3-en-1-ynylsulfanylbenzene
CID 10012708
4-phenylsulfanylbut-1-en-3-ynylsulfanylbenzene
CID 71368652
2-[(2-methylpropan-2-yl)oxy]ethynylsulfanylbenzene
CID 12714702
1-(2-phenylselanylethynyl)naphthalene
CID 11522394
1-(2-phenylsulfanylethynyl)naphthalene
CID 141231392
1-bromo-2-(3-phenylsulfanylprop-2-ynoxy)benzene
CID 102221942
1-fluoro-3-(2-phenylethynylselanyl)benzene
CID 134946611
2-(2-phenylsulfanylethynyl)pyridin-3-ol
CID 14948593
ethyl 3-phenylsulfanylprop-2-ynoate
CID 12741378
1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol
CID 46928731
1,3-diphenyl-2-(3-phenylsulfanylprop-2-ynyl)propane-1,3-dione
CID 15330239
1-butoxy-4-(2-phenylsulfanylethynyl)benzene
CID 19993335

Frequently Asked Questions

What is the IUPAC name of 2-phenylselanylethynylsulfanylbenzene?
The IUPAC name of 2-phenylselanylethynylsulfanylbenzene (CID 14640001) is 2-phenylselanylethynylsulfanylbenzene.
What is the SMILES notation for 2-phenylselanylethynylsulfanylbenzene?
The canonical SMILES for 2-phenylselanylethynylsulfanylbenzene is C(#C[Se]c1ccccc1)Sc1ccccc1.
What is the InChIKey of 2-phenylselanylethynylsulfanylbenzene?
The InChIKey is SDYHOLUPIUDPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10SSe/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H.
What are the key properties of 2-phenylselanylethynylsulfanylbenzene?
2-phenylselanylethynylsulfanylbenzene has a molecular weight of 289.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanylethynylsulfanylbenzene is sourced from PubChem (CID 14640001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).