2-phenylethenylsulfanylbenzene

C14H12S — CID 611297

IUPAC2-phenylethenylsulfanylbenzene
SMILESC(=Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H12S/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-12H
InChIKeyNCSYOCXYJXZCGQ-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.45
Rot. Bonds3

About 2-phenylethenylsulfanylbenzene

2-phenylethenylsulfanylbenzene (PubChem CID 611297) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-phenylethenylsulfanylbenzene.

Molecular Properties

Compound Name2-phenylethenylsulfanylbenzene
PubChem CID611297
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name2-phenylethenylsulfanylbenzene
SMILESC(=Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H12S/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-12H
InChIKeyNCSYOCXYJXZCGQ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethenylsulfanylbenzene?
The IUPAC name of 2-phenylethenylsulfanylbenzene (CID 611297) is 2-phenylethenylsulfanylbenzene.
What is the SMILES notation for 2-phenylethenylsulfanylbenzene?
The canonical SMILES for 2-phenylethenylsulfanylbenzene is C(=Cc1ccccc1)Sc1ccccc1.
What is the InChIKey of 2-phenylethenylsulfanylbenzene?
The InChIKey is NCSYOCXYJXZCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2-phenylethenylsulfanylbenzene?
2-phenylethenylsulfanylbenzene has a molecular weight of 212.32 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethenylsulfanylbenzene is sourced from PubChem (CID 611297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).