1-bromo-2-(4-bromophenyl)sulfanylbenzene

C12H8Br2S — CID 19736819

IUPAC1-bromo-2-(4-bromophenyl)sulfanylbenzene
SMILESBrc1ccc(Sc2ccccc2Br)cc1
InChIInChI=1S/C12H8Br2S/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H
InChIKeyDWVLLJKWOIZAGN-UHFFFAOYSA-N
MW344.07 g/mol
LogP5.36
Rot. Bonds2

About 1-bromo-2-(4-bromophenyl)sulfanylbenzene

1-bromo-2-(4-bromophenyl)sulfanylbenzene (PubChem CID 19736819) has the molecular formula C12H8Br2S and a molecular weight of 344.07 g/mol. Its IUPAC name is 1-bromo-2-(4-bromophenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-bromo-2-(4-bromophenyl)sulfanylbenzene
PubChem CID19736819
Molecular FormulaC12H8Br2S
Molecular Weight344.07 g/mol
Exact Mass341.87
IUPAC Name1-bromo-2-(4-bromophenyl)sulfanylbenzene
SMILESBrc1ccc(Sc2ccccc2Br)cc1
InChIInChI=1S/C12H8Br2S/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H
InChIKeyDWVLLJKWOIZAGN-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.07
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-bromophenyl)sulfanylbenzene?
The IUPAC name of 1-bromo-2-(4-bromophenyl)sulfanylbenzene (CID 19736819) is 1-bromo-2-(4-bromophenyl)sulfanylbenzene.
What is the SMILES notation for 1-bromo-2-(4-bromophenyl)sulfanylbenzene?
The canonical SMILES for 1-bromo-2-(4-bromophenyl)sulfanylbenzene is Brc1ccc(Sc2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-(4-bromophenyl)sulfanylbenzene?
The InChIKey is DWVLLJKWOIZAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2S/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H.
What are the key properties of 1-bromo-2-(4-bromophenyl)sulfanylbenzene?
1-bromo-2-(4-bromophenyl)sulfanylbenzene has a molecular weight of 344.07 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-bromophenyl)sulfanylbenzene is sourced from PubChem (CID 19736819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).