1-bromo-3-[(3-bromophenyl)disulfanyl]benzene

C12H8Br2S2 — CID 15934168

IUPAC1-bromo-3-[(3-bromophenyl)disulfanyl]benzene
SMILESBrc1cccc(SSc2cccc(Br)c2)c1
InChIInChI=1S/C12H8Br2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H
InChIKeyPEHGERSYFVVLQN-UHFFFAOYSA-N
MW376.14 g/mol
LogP6.01
Rot. Bonds3

About 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene

1-bromo-3-[(3-bromophenyl)disulfanyl]benzene (PubChem CID 15934168) has the molecular formula C12H8Br2S2 and a molecular weight of 376.14 g/mol. Its IUPAC name is 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(3-bromophenyl)disulfanyl]benzene
PubChem CID15934168
Molecular FormulaC12H8Br2S2
Molecular Weight376.14 g/mol
Exact Mass373.84
IUPAC Name1-bromo-3-[(3-bromophenyl)disulfanyl]benzene
SMILESBrc1cccc(SSc2cccc(Br)c2)c1
InChIInChI=1S/C12H8Br2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H
InChIKeyPEHGERSYFVVLQN-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.14
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene?
The IUPAC name of 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene (CID 15934168) is 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene.
What is the SMILES notation for 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene?
The canonical SMILES for 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene is Brc1cccc(SSc2cccc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene?
The InChIKey is PEHGERSYFVVLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H.
What are the key properties of 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene?
1-bromo-3-[(3-bromophenyl)disulfanyl]benzene has a molecular weight of 376.14 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene is sourced from PubChem (CID 15934168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).