3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene

C12H12Br2S2 — CID 57088251

IUPAC3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene
SMILESCc1sc(C)c(-c2c(C)sc(C)c2Br)c1Br
InChIInChI=1S/C12H12Br2S2/c1-5-9(11(13)7(3)15-5)10-6(2)16-8(4)12(10)14/h1-4H3
InChIKeyRJOFLCOLGQVWQF-UHFFFAOYSA-N
MW380.17 g/mol
LogP6.24
Rot. Bonds1

About 3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene

3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene (PubChem CID 57088251) has the molecular formula C12H12Br2S2 and a molecular weight of 380.17 g/mol. Its IUPAC name is 3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene
PubChem CID57088251
Molecular FormulaC12H12Br2S2
Molecular Weight380.17 g/mol
Exact Mass377.87
IUPAC Name3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene
SMILESCc1sc(C)c(-c2c(C)sc(C)c2Br)c1Br
InChIInChI=1S/C12H12Br2S2/c1-5-9(11(13)7(3)15-5)10-6(2)16-8(4)12(10)14/h1-4H3
InChIKeyRJOFLCOLGQVWQF-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.17
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene?
The IUPAC name of 3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene (CID 57088251) is 3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene.
What is the SMILES notation for 3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene?
The canonical SMILES for 3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene is Cc1sc(C)c(-c2c(C)sc(C)c2Br)c1Br.
What is the InChIKey of 3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene?
The InChIKey is RJOFLCOLGQVWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2S2/c1-5-9(11(13)7(3)15-5)10-6(2)16-8(4)12(10)14/h1-4H3.
What are the key properties of 3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene?
3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene has a molecular weight of 380.17 g/mol, XLogP of 6.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene is sourced from PubChem (CID 57088251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).