1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene

C14H11ClS — CID 11499743

IUPAC1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene
SMILESClc1ccc(/C=C/Sc2ccccc2)cc1
InChIInChI=1S/C14H11ClS/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14/h1-11H/b11-10+
InChIKeyLYORDQHVEBYVMV-ZHACJKMWSA-N
MW246.76 g/mol
LogP5.10
Rot. Bonds3

About 1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene

1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene (PubChem CID 11499743) has the molecular formula C14H11ClS and a molecular weight of 246.76 g/mol. Its IUPAC name is 1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene
PubChem CID11499743
Molecular FormulaC14H11ClS
Molecular Weight246.76 g/mol
Exact Mass246.03
IUPAC Name1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene
SMILESClc1ccc(/C=C/Sc2ccccc2)cc1
InChIInChI=1S/C14H11ClS/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14/h1-11H/b11-10+
InChIKeyLYORDQHVEBYVMV-ZHACJKMWSA-N
XLogP5.10
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 ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene (CID 11499743) is 1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene is Clc1ccc(/C=C/Sc2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene?
The InChIKey is LYORDQHVEBYVMV-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H11ClS/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14/h1-11H/b11-10+.
What are the key properties of 1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene?
1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene has a molecular weight of 246.76 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-2-phenylsulfanylethenyl]benzene is sourced from PubChem (CID 11499743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).