methylsulfanylmethane;2-phenylethynylbenzene

C16H16S — CID 166709013

IUPACmethylsulfanylmethane;2-phenylethynylbenzene
SMILESC(#Cc1ccccc1)c1ccccc1.CSC
InChIInChI=1S/C14H10.C2H6S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-2/h1-10H;1-2H3
InChIKeyAXDMSYUKXCYUDI-UHFFFAOYSA-N
MW240.37 g/mol
LogP4.07
Rot. Bonds

About methylsulfanylmethane;2-phenylethynylbenzene

methylsulfanylmethane;2-phenylethynylbenzene (PubChem CID 166709013) has the molecular formula C16H16S and a molecular weight of 240.37 g/mol. Its IUPAC name is methylsulfanylmethane;2-phenylethynylbenzene.

Molecular Properties

Compound Namemethylsulfanylmethane;2-phenylethynylbenzene
PubChem CID166709013
Molecular FormulaC16H16S
Molecular Weight240.37 g/mol
Exact Mass240.10
IUPAC Namemethylsulfanylmethane;2-phenylethynylbenzene
SMILESC(#Cc1ccccc1)c1ccccc1.CSC
InChIInChI=1S/C14H10.C2H6S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-2/h1-10H;1-2H3
InChIKeyAXDMSYUKXCYUDI-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
2-phenylethynylbenzene;sulfur dioxide
CID 175266779
oxophosphanium;2-phenylethynylbenzene
CID 161111354
prop-1-ynylbenzene
CID 142310164
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109
CID 10939703
CID 10939703
1,2,3,4,5,6,7,8-octafluoronaphthalene;2-phenylethynylbenzene
CID 139058258
1,4-dimethyl-2,3,5,6-tetrakis(2-phenylethynyl)benzene
CID 21461448

Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethane;2-phenylethynylbenzene?
The IUPAC name of methylsulfanylmethane;2-phenylethynylbenzene (CID 166709013) is methylsulfanylmethane;2-phenylethynylbenzene.
What is the SMILES notation for methylsulfanylmethane;2-phenylethynylbenzene?
The canonical SMILES for methylsulfanylmethane;2-phenylethynylbenzene is C(#Cc1ccccc1)c1ccccc1.CSC.
What is the InChIKey of methylsulfanylmethane;2-phenylethynylbenzene?
The InChIKey is AXDMSYUKXCYUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C2H6S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-2/h1-10H;1-2H3.
What are the key properties of methylsulfanylmethane;2-phenylethynylbenzene?
methylsulfanylmethane;2-phenylethynylbenzene has a molecular weight of 240.37 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethane;2-phenylethynylbenzene is sourced from PubChem (CID 166709013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).