2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene

C14H12Br2O2S — CID 102352704

IUPAC2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene
SMILESCOc1cccc(Sc2cccc(OC)c2Br)c1Br
InChIInChI=1S/C14H12Br2O2S/c1-17-9-5-3-7-11(13(9)15)19-12-8-4-6-10(18-2)14(12)16/h3-8H,1-2H3
InChIKeyYDEKVTVPVCSEMC-UHFFFAOYSA-N
MW404.12 g/mol
LogP5.38
Rot. Bonds4

About 2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene

2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene (PubChem CID 102352704) has the molecular formula C14H12Br2O2S and a molecular weight of 404.12 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene
PubChem CID102352704
Molecular FormulaC14H12Br2O2S
Molecular Weight404.12 g/mol
Exact Mass401.89
IUPAC Name2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene
SMILESCOc1cccc(Sc2cccc(OC)c2Br)c1Br
InChIInChI=1S/C14H12Br2O2S/c1-17-9-5-3-7-11(13(9)15)19-12-8-4-6-10(18-2)14(12)16/h3-8H,1-2H3
InChIKeyYDEKVTVPVCSEMC-UHFFFAOYSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.12
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene?
The IUPAC name of 2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene (CID 102352704) is 2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene.
What is the SMILES notation for 2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene?
The canonical SMILES for 2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene is COc1cccc(Sc2cccc(OC)c2Br)c1Br.
What is the InChIKey of 2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene?
The InChIKey is YDEKVTVPVCSEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O2S/c1-17-9-5-3-7-11(13(9)15)19-12-8-4-6-10(18-2)14(12)16/h3-8H,1-2H3.
What are the key properties of 2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene?
2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene has a molecular weight of 404.12 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromo-3-methoxyphenyl)sulfanyl-3-methoxybenzene is sourced from PubChem (CID 102352704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).