1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene

C15H13ClS — CID 11996285

IUPAC1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene
SMILESClc1ccc(/C=C/SCc2ccccc2)cc1
InChIInChI=1S/C15H13ClS/c16-15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-11H,12H2/b11-10+
InChIKeyBREIDRHCVTVKOR-ZHACJKMWSA-N
MW260.79 g/mol
LogP5.24
Rot. Bonds4

About 1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene

1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene (PubChem CID 11996285) has the molecular formula C15H13ClS and a molecular weight of 260.79 g/mol. Its IUPAC name is 1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene
PubChem CID11996285
Molecular FormulaC15H13ClS
Molecular Weight260.79 g/mol
Exact Mass260.04
IUPAC Name1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene
SMILESClc1ccc(/C=C/SCc2ccccc2)cc1
InChIInChI=1S/C15H13ClS/c16-15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-11H,12H2/b11-10+
InChIKeyBREIDRHCVTVKOR-ZHACJKMWSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.79
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene?
The IUPAC name of 1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene (CID 11996285) is 1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene?
The canonical SMILES for 1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene is Clc1ccc(/C=C/SCc2ccccc2)cc1.
What is the InChIKey of 1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene?
The InChIKey is BREIDRHCVTVKOR-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13ClS/c16-15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-11H,12H2/b11-10+.
What are the key properties of 1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene?
1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene has a molecular weight of 260.79 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-benzylsulfanylethenyl]-4-chlorobenzene is sourced from PubChem (CID 11996285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).