5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene

C10H8Br2S2 — CID 14896126

IUPAC5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene
SMILESCc1cc(Br)sc1-c1sc(Br)cc1C
InChIInChI=1S/C10H8Br2S2/c1-5-3-7(11)13-9(5)10-6(2)4-8(12)14-10/h3-4H,1-2H3
InChIKeyMPDYYPROBCGOFV-UHFFFAOYSA-N
MW352.12 g/mol
LogP5.62
Rot. Bonds1

About 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene

5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene (PubChem CID 14896126) has the molecular formula C10H8Br2S2 and a molecular weight of 352.12 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene.

Molecular Properties

Compound Name5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene
PubChem CID14896126
Molecular FormulaC10H8Br2S2
Molecular Weight352.12 g/mol
Exact Mass349.84
IUPAC Name5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene
SMILESCc1cc(Br)sc1-c1sc(Br)cc1C
InChIInChI=1S/C10H8Br2S2/c1-5-3-7(11)13-9(5)10-6(2)4-8(12)14-10/h3-4H,1-2H3
InChIKeyMPDYYPROBCGOFV-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.12
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene?
The IUPAC name of 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene (CID 14896126) is 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene.
What is the SMILES notation for 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene?
The canonical SMILES for 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene is Cc1cc(Br)sc1-c1sc(Br)cc1C.
What is the InChIKey of 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene?
The InChIKey is MPDYYPROBCGOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2S2/c1-5-3-7(11)13-9(5)10-6(2)4-8(12)14-10/h3-4H,1-2H3.
What are the key properties of 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene?
5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene has a molecular weight of 352.12 g/mol, XLogP of 5.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-methylthiophene is sourced from PubChem (CID 14896126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).