1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene

C14H12Br2S — CID 91877723

IUPAC1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene
SMILESCCc1ccc(Sc2ccc(Br)c(Br)c2)cc1
InChIInChI=1S/C14H12Br2S/c1-2-10-3-5-11(6-4-10)17-12-7-8-13(15)14(16)9-12/h3-9H,2H2,1H3
InChIKeyHMIURUSPOSYIRR-UHFFFAOYSA-N
MW372.13 g/mol
LogP5.93
Rot. Bonds3

About 1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene

1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene (PubChem CID 91877723) has the molecular formula C14H12Br2S and a molecular weight of 372.13 g/mol. Its IUPAC name is 1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene
PubChem CID91877723
Molecular FormulaC14H12Br2S
Molecular Weight372.13 g/mol
Exact Mass369.90
IUPAC Name1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene
SMILESCCc1ccc(Sc2ccc(Br)c(Br)c2)cc1
InChIInChI=1S/C14H12Br2S/c1-2-10-3-5-11(6-4-10)17-12-7-8-13(15)14(16)9-12/h3-9H,2H2,1H3
InChIKeyHMIURUSPOSYIRR-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

4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine
CID 91880178
2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene
CID 91877676
2-amino-5-(4-ethylphenyl)sulfanylbenzoic acid
CID 91880175
4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene
CID 91877718
4-(3,4-dibromophenyl)sulfanylbenzoic acid
CID 91877321
4-bromo-1-(4-ethylphenyl)sulfanyl-2-fluorobenzene
CID 91877705
5-bromo-2-(4-ethylphenyl)sulfanylphenol
CID 91877717
4-(4-ethylphenyl)sulfanyl-2-iodo-1-methoxybenzene
CID 91879120
4-(4-ethylphenyl)sulfanyl-2-iodobenzonitrile
CID 91878542
2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid
CID 91879301
4-bromo-1-(4-ethylphenyl)sulfanyl-2-(trifluoromethyl)benzene
CID 91877716
1-ethyl-4-methylsulfanylbenzene
CID 142218139

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene?
The IUPAC name of 1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene (CID 91877723) is 1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene.
What is the SMILES notation for 1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene?
The canonical SMILES for 1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene is CCc1ccc(Sc2ccc(Br)c(Br)c2)cc1.
What is the InChIKey of 1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene?
The InChIKey is HMIURUSPOSYIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2S/c1-2-10-3-5-11(6-4-10)17-12-7-8-13(15)14(16)9-12/h3-9H,2H2,1H3.
What are the key properties of 1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene?
1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene 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 1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene is sourced from PubChem (CID 91877723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).