4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene

C15H15BrS — CID 91877718

IUPAC4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene
SMILESCCc1ccc(Sc2ccc(Br)cc2C)cc1
InChIInChI=1S/C15H15BrS/c1-3-12-4-7-14(8-5-12)17-15-9-6-13(16)10-11(15)2/h4-10H,3H2,1-2H3
InChIKeyOFYXSZPGMLQIPD-UHFFFAOYSA-N
MW307.26 g/mol
LogP5.47
Rot. Bonds3

About 4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene

4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene (PubChem CID 91877718) has the molecular formula C15H15BrS and a molecular weight of 307.26 g/mol. Its IUPAC name is 4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene
PubChem CID91877718
Molecular FormulaC15H15BrS
Molecular Weight307.26 g/mol
Exact Mass306.01
IUPAC Name4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene
SMILESCCc1ccc(Sc2ccc(Br)cc2C)cc1
InChIInChI=1S/C15H15BrS/c1-3-12-4-7-14(8-5-12)17-15-9-6-13(16)10-11(15)2/h4-10H,3H2,1-2H3
InChIKeyOFYXSZPGMLQIPD-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.26
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-(4-ethylphenyl)sulfanyl-2-fluorobenzene
CID 91877705
5-bromo-2-(4-ethylphenyl)sulfanylphenol
CID 91877717
4-bromo-1-(4-ethylphenyl)sulfanyl-2-(trifluoromethyl)benzene
CID 91877716
4-(4-bromo-2-methylphenyl)sulfanylphenol
CID 91877655
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415
1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene
CID 58715679
1-(4-bromo-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980728
1-bromo-4-ethylbenzene
CID 15313
1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene
CID 91877723
1-[4-(3-bromophenyl)sulfanyl-3-methylphenyl]butan-2-amine
CID 63819363
4-bromo-1-hydroxysulfanyl-2-methylbenzene
CID 175413472
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene?
The IUPAC name of 4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene (CID 91877718) is 4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene.
What is the SMILES notation for 4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene?
The canonical SMILES for 4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene is CCc1ccc(Sc2ccc(Br)cc2C)cc1.
What is the InChIKey of 4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene?
The InChIKey is OFYXSZPGMLQIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrS/c1-3-12-4-7-14(8-5-12)17-15-9-6-13(16)10-11(15)2/h4-10H,3H2,1-2H3.
What are the key properties of 4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene?
4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene has a molecular weight of 307.26 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene is sourced from PubChem (CID 91877718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).