2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene

C15H18STe — CID 25229077

IUPAC2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene
SMILESCCCC/C(=C/SC)[Te]C#Cc1ccccc1
InChIInChI=1S/C15H18STe/c1-3-4-10-15(13-16-2)17-12-11-14-8-6-5-7-9-14/h5-9,13H,3-4,10H2,1-2H3/b15-13-
InChIKeyJHQVEOGATUHNMF-SQFISAMPSA-N
MW357.98 g/mol
LogP4.09
Rot. Bonds5

About 2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene

2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene (PubChem CID 25229077) has the molecular formula C15H18STe and a molecular weight of 357.98 g/mol. Its IUPAC name is 2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene.

Molecular Properties

Compound Name2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene
PubChem CID25229077
Molecular FormulaC15H18STe
Molecular Weight357.98 g/mol
Exact Mass360.02
IUPAC Name2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene
SMILESCCCC/C(=C/SC)[Te]C#Cc1ccccc1
InChIInChI=1S/C15H18STe/c1-3-4-10-15(13-16-2)17-12-11-14-8-6-5-7-9-14/h5-9,13H,3-4,10H2,1-2H3/b15-13-
InChIKeyJHQVEOGATUHNMF-SQFISAMPSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.98
LogP ≤ 54.09
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'}

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Related Compounds

[(Z)-3-butyl-4-(2-phenylethynyl)oct-3-en-1-ynyl]benzene
CID 10925864
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996
[(Z)-4-methyl-1-phenyloct-3-en-1-yn-3-yl]benzene
CID 102375518
methyl (2E)-2-(3-phenylprop-2-ynylidene)hexanoate
CID 10331988
(3S)-3-ethyl-1-phenylhept-1-yn-3-ol
CID 7010443
[(E)-4-ethyl-3-(trifluoromethyl)oct-3-en-1-ynyl]benzene
CID 159391346
trimethyl-[(Z)-1-phenylnon-4-en-1-yn-4-yl]silane
CID 101354562
[(E)-tetradec-3-en-4-yl]tellanylbenzene
CID 134933054
[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
CID 134933163
tridec-1-ynylbenzene
CID 19991064
2-(2-phenylethynyltellanyl)ethynylbenzene
CID 10936402
2-[(Z)-2-diethoxyphosphoryl-1-phenylethenyl]tellanylethynylbenzene
CID 135063598

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene?
The IUPAC name of 2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene (CID 25229077) is 2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene.
What is the SMILES notation for 2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene?
The canonical SMILES for 2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene is CCCC/C(=C/SC)[Te]C#Cc1ccccc1.
What is the InChIKey of 2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene?
The InChIKey is JHQVEOGATUHNMF-SQFISAMPSA-N. The full InChI is InChI=1S/C15H18STe/c1-3-4-10-15(13-16-2)17-12-11-14-8-6-5-7-9-14/h5-9,13H,3-4,10H2,1-2H3/b15-13-.
What are the key properties of 2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene?
2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene has a molecular weight of 357.98 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-methylsulfanylhex-1-en-2-yl]tellanylethynylbenzene is sourced from PubChem (CID 25229077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).