1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene

C16H14S — CID 22186242

IUPAC1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene
SMILESC=Cc1ccccc1Sc1ccccc1C=C
InChIInChI=1S/C16H14S/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2/h3-12H,1-2H2
InChIKeyLEBYUFAVLJJZPK-UHFFFAOYSA-N
MW238.35 g/mol
LogP5.12
Rot. Bonds4

About 1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene

1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene (PubChem CID 22186242) has the molecular formula C16H14S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene
PubChem CID22186242
Molecular FormulaC16H14S
Molecular Weight238.35 g/mol
Exact Mass238.08
IUPAC Name1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene
SMILESC=Cc1ccccc1Sc1ccccc1C=C
InChIInChI=1S/C16H14S/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2/h3-12H,1-2H2
InChIKeyLEBYUFAVLJJZPK-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene?
The IUPAC name of 1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene (CID 22186242) is 1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene?
The canonical SMILES for 1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene is C=Cc1ccccc1Sc1ccccc1C=C.
What is the InChIKey of 1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene?
The InChIKey is LEBYUFAVLJJZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2/h3-12H,1-2H2.
What are the key properties of 1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene?
1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene has a molecular weight of 238.35 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(2-ethenylphenyl)sulfanylbenzene is sourced from PubChem (CID 22186242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).