[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene

C14H11ClS — CID 91738284

IUPAC[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
SMILESCl/C=C(/Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H11ClS/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKeyYFCKDZMNYWPZIZ-SDNWHVSQSA-N
MW246.76 g/mol
LogP5.02
Rot. Bonds3

About [(E)-2-chloro-1-phenylethenyl]sulfanylbenzene

[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene (PubChem CID 91738284) has the molecular formula C14H11ClS and a molecular weight of 246.76 g/mol. Its IUPAC name is [(E)-2-chloro-1-phenylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
PubChem CID91738284
Molecular FormulaC14H11ClS
Molecular Weight246.76 g/mol
Exact Mass246.03
IUPAC Name[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
SMILESCl/C=C(/Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H11ClS/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKeyYFCKDZMNYWPZIZ-SDNWHVSQSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.76
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(E)-2-chloro-1-phenylethenyl]sulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-2-chloro-1-phenylethenyl]sulfanylbenzene?
The IUPAC name of [(E)-2-chloro-1-phenylethenyl]sulfanylbenzene (CID 91738284) is [(E)-2-chloro-1-phenylethenyl]sulfanylbenzene.
What is the SMILES notation for [(E)-2-chloro-1-phenylethenyl]sulfanylbenzene?
The canonical SMILES for [(E)-2-chloro-1-phenylethenyl]sulfanylbenzene is Cl/C=C(/Sc1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-chloro-1-phenylethenyl]sulfanylbenzene?
The InChIKey is YFCKDZMNYWPZIZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H11ClS/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-11H/b14-11+.
What are the key properties of [(E)-2-chloro-1-phenylethenyl]sulfanylbenzene?
[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene has a molecular weight of 246.76 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-chloro-1-phenylethenyl]sulfanylbenzene is sourced from PubChem (CID 91738284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).