2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene

C14H12Br2S — CID 91877676

IUPAC2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene
SMILESCCc1ccc(Sc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H12Br2S/c1-2-10-3-6-13(9-14(10)16)17-12-7-4-11(15)5-8-12/h3-9H,2H2,1H3
InChIKeyAVYOAJSIHGKEQL-UHFFFAOYSA-N
MW372.13 g/mol
LogP5.93
Rot. Bonds3

About 2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene

2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene (PubChem CID 91877676) has the molecular formula C14H12Br2S and a molecular weight of 372.13 g/mol. Its IUPAC name is 2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene.

Molecular Properties

Compound Name2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene
PubChem CID91877676
Molecular FormulaC14H12Br2S
Molecular Weight372.13 g/mol
Exact Mass369.90
IUPAC Name2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene
SMILESCCc1ccc(Sc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H12Br2S/c1-2-10-3-6-13(9-14(10)16)17-12-7-4-11(15)5-8-12/h3-9H,2H2,1H3
InChIKeyAVYOAJSIHGKEQL-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.13
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(4-bromophenyl)sulfanyl-2-ethylphenyl]acetic acid
CID 91877682
4-(4-bromophenyl)sulfanyl-2-ethylaniline
CID 91877338
4-(4-bromophenyl)sulfanyl-2-ethyl-1-iodobenzene
CID 91877189
2-bromo-1-ethyl-4-methylsulfanylbenzene
CID 91880744
1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene
CID 91877723
ethyl 2-bromo-4-(4-bromophenyl)sulfanylbenzoate
CID 91877556
2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene
CID 91877376
N-[(2-bromo-4-phenylsulfanylphenyl)methyl]ethanamine
CID 114061062
2-[5-(4-bromophenyl)sulfanyl-2-hydroxyphenyl]acetic acid
CID 91877621
1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine
CID 114061063
1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane
CID 143619188
1-[4-(4-bromophenyl)sulfanyl-2-methylphenyl]butan-2-amine
CID 63819825

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene?
The IUPAC name of 2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene (CID 91877676) is 2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene.
What is the SMILES notation for 2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene?
The canonical SMILES for 2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene is CCc1ccc(Sc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene?
The InChIKey is AVYOAJSIHGKEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2S/c1-2-10-3-6-13(9-14(10)16)17-12-7-4-11(15)5-8-12/h3-9H,2H2,1H3.
What are the key properties of 2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene?
2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene has a molecular weight of 372.13 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene is sourced from PubChem (CID 91877676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).