1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene

C8H6Br4S2 — CID 140570962

IUPAC1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene
SMILESBrS1(Br)(Br)(Br)C=CC=C1c1cccs1
InChIInChI=1S/C8H6Br4S2/c9-14(10,11,12)6-2-4-8(14)7-3-1-5-13-7/h1-6H
InChIKeyPNMHACCXDIWWCC-UHFFFAOYSA-N
MW485.89 g/mol
LogP6.73
Rot. Bonds1

About 1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene

1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene (PubChem CID 140570962) has the molecular formula C8H6Br4S2 and a molecular weight of 485.89 g/mol. Its IUPAC name is 1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene
PubChem CID140570962
Molecular FormulaC8H6Br4S2
Molecular Weight485.89 g/mol
Exact Mass481.66
IUPAC Name1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene
SMILESBrS1(Br)(Br)(Br)C=CC=C1c1cccs1
InChIInChI=1S/C8H6Br4S2/c9-14(10,11,12)6-2-4-8(14)7-3-1-5-13-7/h1-6H
InChIKeyPNMHACCXDIWWCC-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.89
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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thiophene;2-thiophen-2-ylthiophene
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2-(3,5-dibromophenyl)thiophene
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2,5-dithiophen-2-ylthiophene;ethane
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2-bromo-5-thiophen-2-ylpyrimidine
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tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid
CID 82083329
2-thiophen-2-yl-5-(5-thiophen-2-ylfuran-2-yl)furan
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3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222

Frequently Asked Questions

What is the IUPAC name of 1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene?
The IUPAC name of 1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene (CID 140570962) is 1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene.
What is the SMILES notation for 1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene?
The canonical SMILES for 1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene is BrS1(Br)(Br)(Br)C=CC=C1c1cccs1.
What is the InChIKey of 1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene?
The InChIKey is PNMHACCXDIWWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br4S2/c9-14(10,11,12)6-2-4-8(14)7-3-1-5-13-7/h1-6H.
What are the key properties of 1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene?
1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene has a molecular weight of 485.89 g/mol, XLogP of 6.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,1-tetrabromo-2-thiophen-2-ylthiophene is sourced from PubChem (CID 140570962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).