1-bromo-4-(4-methoxyphenyl)sulfanylbenzene

C13H11BrOS — CID 14271328

IUPAC1-bromo-4-(4-methoxyphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrOS/c1-15-11-4-8-13(9-5-11)16-12-6-2-10(14)3-7-12/h2-9H,1H3
InChIKeyAAMXFEMLJSROBI-UHFFFAOYSA-N
MW295.20 g/mol
LogP4.61
Rot. Bonds3

About 1-bromo-4-(4-methoxyphenyl)sulfanylbenzene

1-bromo-4-(4-methoxyphenyl)sulfanylbenzene (PubChem CID 14271328) has the molecular formula C13H11BrOS and a molecular weight of 295.20 g/mol. Its IUPAC name is 1-bromo-4-(4-methoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-bromo-4-(4-methoxyphenyl)sulfanylbenzene
PubChem CID14271328
Molecular FormulaC13H11BrOS
Molecular Weight295.20 g/mol
Exact Mass293.97
IUPAC Name1-bromo-4-(4-methoxyphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrOS/c1-15-11-4-8-13(9-5-11)16-12-6-2-10(14)3-7-12/h2-9H,1H3
InChIKeyAAMXFEMLJSROBI-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, 1-bromo-4-(4-(methylsulfonyl)phenoxy)-
CID 514877
Bis(4-methoxyphenyl) sulfoxide
CID 238614
Benzene, 1-methoxy-4-(phenylthio)-
CID 138547
Benzene, 1-methoxy-3-(phenylthio)-
CID 141586
Bis(4-methoxyphenyl) sulfide
CID 618860
1-Methoxy-4-(phenylsulfinyl)benzene
CID 9964664
1-Fluoro-2-(4-methoxyphenyl)sulfanylbenzene
CID 132938615
1-(Cyclohexylsulfanyl)-4-methoxybenzene
CID 13011159
2-(4-Bromobenzene-1-sulfonyl)-1,4-dimethoxybenzene
CID 1076681
phenyl S-(4-bromophenyl) thiocarbonate
CID 129708594
1-Bromo-2-[2-(4-methoxyphenyl)sulfanylethynyl]benzene
CID 134858099
1-Bromo-4-methoxy-2-(methylsulfanyl)benzene
CID 10922418

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-methoxyphenyl)sulfanylbenzene?
The IUPAC name of 1-bromo-4-(4-methoxyphenyl)sulfanylbenzene (CID 14271328) is 1-bromo-4-(4-methoxyphenyl)sulfanylbenzene.
What is the SMILES notation for 1-bromo-4-(4-methoxyphenyl)sulfanylbenzene?
The canonical SMILES for 1-bromo-4-(4-methoxyphenyl)sulfanylbenzene is COc1ccc(Sc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-(4-methoxyphenyl)sulfanylbenzene?
The InChIKey is AAMXFEMLJSROBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrOS/c1-15-11-4-8-13(9-5-11)16-12-6-2-10(14)3-7-12/h2-9H,1H3.
What are the key properties of 1-bromo-4-(4-methoxyphenyl)sulfanylbenzene?
1-bromo-4-(4-methoxyphenyl)sulfanylbenzene has a molecular weight of 295.20 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-methoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 14271328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).