1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene

C14H11BrS — CID 5382427

IUPAC1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene
SMILESBrc1ccc(S/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11BrS/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-11H/b11-10+
InChIKeyFKKUQAZEUNGNJC-ZHACJKMWSA-N
MW291.21 g/mol
LogP5.21
Rot. Bonds3

About 1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene

1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene (PubChem CID 5382427) has the molecular formula C14H11BrS and a molecular weight of 291.21 g/mol. Its IUPAC name is 1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene
PubChem CID5382427
Molecular FormulaC14H11BrS
Molecular Weight291.21 g/mol
Exact Mass289.98
IUPAC Name1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene
SMILESBrc1ccc(S/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11BrS/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-11H/b11-10+
InChIKeyFKKUQAZEUNGNJC-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

Bis(4-bromophenyl) sulphide
CID 76929
Allyl 4-bromophenyl sulfide
CID 232026
Phenyl styryl sulfide
CID 611297
4-((4-Bromophenyl)thio)benZonitrile
CID 43090939
1-Bromo-4-phenylsulfanylbenzene
CID 312025
2-Bromobenzyl methyl sulfide
CID 4108138
Benzyl 4-bromophenyl sulfide
CID 4191541
1-Bromo-4-(propan-2-ylsulfanyl)benzene
CID 12521240
9H-Thioxanthene, 2-bromo-
CID 10660130
E-(4-(4-bromostyryl)phenyl)(methyl)sulfane
CID 68853205
p-Bromophenyl styryl sulfone
CID 5369347
Bis[(4-bromophenyl)thio]methane
CID 579066

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene?
The IUPAC name of 1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene (CID 5382427) is 1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene.
What is the SMILES notation for 1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene?
The canonical SMILES for 1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene is Brc1ccc(S/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene?
The InChIKey is FKKUQAZEUNGNJC-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H11BrS/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-11H/b11-10+.
What are the key properties of 1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene?
1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene 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-phenylethenyl]sulfanylbenzene is sourced from PubChem (CID 5382427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).