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

C14H11BrS — CID 46855684

IUPAC1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene
SMILESBrc1ccc(/C=C/Sc2ccccc2)cc1
InChIInChI=1S/C14H11BrS/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14/h1-11H/b11-10+
InChIKeyVKZFKCKASGGVLX-ZHACJKMWSA-N
MW291.21 g/mol
LogP5.21
Rot. Bonds3

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

1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene (PubChem CID 46855684) has the molecular formula C14H11BrS and a molecular weight of 291.21 g/mol. Its IUPAC name is 1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene
PubChem CID46855684
Molecular FormulaC14H11BrS
Molecular Weight291.21 g/mol
Exact Mass289.98
IUPAC Name1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene
SMILESBrc1ccc(/C=C/Sc2ccccc2)cc1
InChIInChI=1S/C14H11BrS/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14/h1-11H/b11-10+
InChIKeyVKZFKCKASGGVLX-ZHACJKMWSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.21
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Phenyl styryl sulfide
CID 611297
2-Bromobenzyl methyl sulfide
CID 4108138
Benzyl 4-bromophenyl sulfide
CID 4191541
4'-Bromo-4-mercaptobiphenyl
CID 13193704
4-[(4-Bromophenyl)methylsulfanyl]benzonitrile
CID 55471035
1-Bromo-4-[[(4-bromophenyl)methyltrisulfanyl]methyl]benzene
CID 44416192
2-(4-Bromophenyl)-1,3-dithiolane
CID 55012
E-(4-(4-bromostyryl)phenyl)(methyl)sulfane
CID 68853205
p-Bromophenyl styryl sulfone
CID 5369347
4-Bromobenzyl thiocyanate
CID 4061252
1-Bromo-3-[(methylsulfanyl)methyl]benzene
CID 12587516
1-Bromo-4-((methylsulfanyl)methyl)benzene
CID 12587517

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene (CID 46855684) is 1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene is Brc1ccc(/C=C/Sc2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene?
The InChIKey is VKZFKCKASGGVLX-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H11BrS/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-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene?
1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene has a molecular weight of 291.21 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-2-phenylsulfanylethenyl]benzene is sourced from PubChem (CID 46855684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).