2-phenylethynylbenzene;sulfur dioxide

C14H10O2S — CID 175266779

IUPAC2-phenylethynylbenzene;sulfur dioxide
SMILESC(#Cc1ccccc1)c1ccccc1.O=S=O
InChIInChI=1S/C14H10.O2S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-2/h1-10H;
InChIKeySEFKJALTKASDAQ-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.42
Rot. Bonds

About 2-phenylethynylbenzene;sulfur dioxide

2-phenylethynylbenzene;sulfur dioxide (PubChem CID 175266779) has the molecular formula C14H10O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-phenylethynylbenzene;sulfur dioxide.

Molecular Properties

Compound Name2-phenylethynylbenzene;sulfur dioxide
PubChem CID175266779
Molecular FormulaC14H10O2S
Molecular Weight242.30 g/mol
Exact Mass242.04
IUPAC Name2-phenylethynylbenzene;sulfur dioxide
SMILESC(#Cc1ccccc1)c1ccccc1.O=S=O
InChIInChI=1S/C14H10.O2S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-2/h1-10H;
InChIKeySEFKJALTKASDAQ-UHFFFAOYSA-N
XLogP2.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
oxophosphanium;2-phenylethynylbenzene
CID 161111354
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
carbanide;dioxorhenium;2-phenylethynylbenzene
CID 134981110
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
CID 102289282
2-(2-phenylethynyl)azulene
CID 139039957
1-(2-phenylethynyl)-2-[2-[2-[2-[2-(2-phenylethynyl)phenyl]phenyl]ethynyl]phenyl]benzene
CID 134956691
1,3,5-tris[4-(2-phenylethynyl)phenyl]benzene
CID 15640933
1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene
CID 5379616

Frequently Asked Questions

What is the IUPAC name of 2-phenylethynylbenzene;sulfur dioxide?
The IUPAC name of 2-phenylethynylbenzene;sulfur dioxide (CID 175266779) is 2-phenylethynylbenzene;sulfur dioxide.
What is the SMILES notation for 2-phenylethynylbenzene;sulfur dioxide?
The canonical SMILES for 2-phenylethynylbenzene;sulfur dioxide is C(#Cc1ccccc1)c1ccccc1.O=S=O.
What is the InChIKey of 2-phenylethynylbenzene;sulfur dioxide?
The InChIKey is SEFKJALTKASDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.O2S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-2/h1-10H;.
What are the key properties of 2-phenylethynylbenzene;sulfur dioxide?
2-phenylethynylbenzene;sulfur dioxide has a molecular weight of 242.30 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethynylbenzene;sulfur dioxide is sourced from PubChem (CID 175266779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).