2-bromothiophene;2,5-dibromothiophene

C8H5Br3S2 — CID 158267440

IUPAC2-bromothiophene;2,5-dibromothiophene
SMILESBrc1ccc(Br)s1.Brc1cccs1
InChIInChI=1S/C4H2Br2S.C4H3BrS/c5-3-1-2-4(6)7-3;5-4-2-1-3-6-4/h1-2H;1-3H
InChIKeyGIPVHODGOGODNF-UHFFFAOYSA-N
MW404.97 g/mol
LogP5.78
Rot. Bonds

About 2-bromothiophene;2,5-dibromothiophene

2-bromothiophene;2,5-dibromothiophene (PubChem CID 158267440) has the molecular formula C8H5Br3S2 and a molecular weight of 404.97 g/mol. Its IUPAC name is 2-bromothiophene;2,5-dibromothiophene.

Molecular Properties

Compound Name2-bromothiophene;2,5-dibromothiophene
PubChem CID158267440
Molecular FormulaC8H5Br3S2
Molecular Weight404.97 g/mol
Exact Mass401.74
IUPAC Name2-bromothiophene;2,5-dibromothiophene
SMILESBrc1ccc(Br)s1.Brc1cccs1
InChIInChI=1S/C4H2Br2S.C4H3BrS/c5-3-1-2-4(6)7-3;5-4-2-1-3-6-4/h1-2H;1-3H
InChIKeyGIPVHODGOGODNF-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.97
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromothiophene;molecular nitrogen
CID 91328293
acetic acid;2-bromothiophene
CID 175516450
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CID 159825502
2-(5-bromothiophen-2-yl)-5-thiophen-2-ylfuran
CID 10781309
2-bromothiophene;sulfuryl diazide
CID 158472383
2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane
CID 158437013
2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene
CID 11081700
2-(5-bromothiophen-2-yl)-1-thiophen-2-ylethanol
CID 62607214
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone
CID 43801859
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CID 78989434
1-[(5-bromothiophen-2-yl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3668606

Frequently Asked Questions

What is the IUPAC name of 2-bromothiophene;2,5-dibromothiophene?
The IUPAC name of 2-bromothiophene;2,5-dibromothiophene (CID 158267440) is 2-bromothiophene;2,5-dibromothiophene.
What is the SMILES notation for 2-bromothiophene;2,5-dibromothiophene?
The canonical SMILES for 2-bromothiophene;2,5-dibromothiophene is Brc1ccc(Br)s1.Brc1cccs1.
What is the InChIKey of 2-bromothiophene;2,5-dibromothiophene?
The InChIKey is GIPVHODGOGODNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Br2S.C4H3BrS/c5-3-1-2-4(6)7-3;5-4-2-1-3-6-4/h1-2H;1-3H.
What are the key properties of 2-bromothiophene;2,5-dibromothiophene?
2-bromothiophene;2,5-dibromothiophene has a molecular weight of 404.97 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromothiophene;2,5-dibromothiophene is sourced from PubChem (CID 158267440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).