3-bromo-2-deuteriothiophene

C4H3BrS — CID 163287194

IUPAC3-bromo-2-deuteriothiophene
SMILES[2H]c1sccc1Br
InChIInChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H/i3D
InChIKeyXCMISAPCWHTVNG-WFVSFCRTSA-N
MW164.05 g/mol
LogP2.51
Rot. Bonds

About 3-bromo-2-deuteriothiophene

3-bromo-2-deuteriothiophene (PubChem CID 163287194) has the molecular formula C4H3BrS and a molecular weight of 164.05 g/mol. Its IUPAC name is 3-bromo-2-deuteriothiophene.

Molecular Properties

Compound Name3-bromo-2-deuteriothiophene
PubChem CID163287194
Molecular FormulaC4H3BrS
Molecular Weight164.05 g/mol
Exact Mass162.92
IUPAC Name3-bromo-2-deuteriothiophene
SMILES[2H]c1sccc1Br
InChIInChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H/i3D
InChIKeyXCMISAPCWHTVNG-WFVSFCRTSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromothiophene
CID 13851
3-Bromothiophene
CID 13383
2,5-Dibromothiophene
CID 18453
3,4-Dibromothiophene
CID 18452
2,3-Dibromothiophene
CID 76590
Thiophene, 2,3,5-tribromo-
CID 76592
2-Bromo-3-methylthiophene
CID 84314
3-Bromo-2-chlorothiophene
CID 2724559
Thiophene, 2,4-dibromo-
CID 2724560
4-Bromo-2-iodothiophene
CID 12624182
2-Bromo-3-iodothiophene
CID 10935115
4-Bromo-2-(trimethylsilyl)thiophene
CID 91972119

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-deuteriothiophene?
The IUPAC name of 3-bromo-2-deuteriothiophene (CID 163287194) is 3-bromo-2-deuteriothiophene.
What is the SMILES notation for 3-bromo-2-deuteriothiophene?
The canonical SMILES for 3-bromo-2-deuteriothiophene is [2H]c1sccc1Br.
What is the InChIKey of 3-bromo-2-deuteriothiophene?
The InChIKey is XCMISAPCWHTVNG-WFVSFCRTSA-N. The full InChI is InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H/i3D.
What are the key properties of 3-bromo-2-deuteriothiophene?
3-bromo-2-deuteriothiophene has a molecular weight of 164.05 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-deuteriothiophene is sourced from PubChem (CID 163287194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).