3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene

C8H4Br2S4 — CID 139909632

IUPAC3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene
SMILESBrc1cscc1SSc1cscc1Br
InChIInChI=1S/C8H4Br2S4/c9-5-1-11-3-7(5)13-14-8-4-12-2-6(8)10/h1-4H
InChIKeyAGAYWCCRKKKUFI-UHFFFAOYSA-N
MW388.20 g/mol
LogP6.13
Rot. Bonds3

About 3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene

3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene (PubChem CID 139909632) has the molecular formula C8H4Br2S4 and a molecular weight of 388.20 g/mol. Its IUPAC name is 3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene.

Molecular Properties

Compound Name3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene
PubChem CID139909632
Molecular FormulaC8H4Br2S4
Molecular Weight388.20 g/mol
Exact Mass385.76
IUPAC Name3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene
SMILESBrc1cscc1SSc1cscc1Br
InChIInChI=1S/C8H4Br2S4/c9-5-1-11-3-7(5)13-14-8-4-12-2-6(8)10/h1-4H
InChIKeyAGAYWCCRKKKUFI-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.20
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene?
The IUPAC name of 3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene (CID 139909632) is 3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene.
What is the SMILES notation for 3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene?
The canonical SMILES for 3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene is Brc1cscc1SSc1cscc1Br.
What is the InChIKey of 3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene?
The InChIKey is AGAYWCCRKKKUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2S4/c9-5-1-11-3-7(5)13-14-8-4-12-2-6(8)10/h1-4H.
What are the key properties of 3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene?
3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene has a molecular weight of 388.20 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(4-bromothiophen-3-yl)disulfanyl]thiophene is sourced from PubChem (CID 139909632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).