2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene

C12H12Br2S2 — CID 155166198

IUPAC2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene
SMILESCC(C)(C)c1ccc(-c2cc(Br)c(Br)s2)s1
InChIInChI=1S/C12H12Br2S2/c1-12(2,3)10-5-4-8(15-10)9-6-7(13)11(14)16-9/h4-6H,1-3H3
InChIKeyLUMMBIKFOQQFME-UHFFFAOYSA-N
MW380.17 g/mol
LogP6.30
Rot. Bonds1

About 2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene

2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene (PubChem CID 155166198) has the molecular formula C12H12Br2S2 and a molecular weight of 380.17 g/mol. Its IUPAC name is 2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene
PubChem CID155166198
Molecular FormulaC12H12Br2S2
Molecular Weight380.17 g/mol
Exact Mass377.87
IUPAC Name2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene
SMILESCC(C)(C)c1ccc(-c2cc(Br)c(Br)s2)s1
InChIInChI=1S/C12H12Br2S2/c1-12(2,3)10-5-4-8(15-10)9-6-7(13)11(14)16-9/h4-6H,1-3H3
InChIKeyLUMMBIKFOQQFME-UHFFFAOYSA-N
XLogP6.30
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 ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene?
The IUPAC name of 2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene (CID 155166198) is 2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene.
What is the SMILES notation for 2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene?
The canonical SMILES for 2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene is CC(C)(C)c1ccc(-c2cc(Br)c(Br)s2)s1.
What is the InChIKey of 2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene?
The InChIKey is LUMMBIKFOQQFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2S2/c1-12(2,3)10-5-4-8(15-10)9-6-7(13)11(14)16-9/h4-6H,1-3H3.
What are the key properties of 2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene?
2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene has a molecular weight of 380.17 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene is sourced from PubChem (CID 155166198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).