acetic acid;2-bromothiophene

C6H7BrO2S — CID 175516450

IUPACacetic acid;2-bromothiophene
SMILESBrc1cccs1.CC(=O)O
InChIInChI=1S/C4H3BrS.C2H4O2/c5-4-2-1-3-6-4;1-2(3)4/h1-3H;1H3,(H,3,4)
InChIKeyQEZJAMFNYPGFPK-UHFFFAOYSA-N
MW223.09 g/mol
LogP2.60
Rot. Bonds

About acetic acid;2-bromothiophene

acetic acid;2-bromothiophene (PubChem CID 175516450) has the molecular formula C6H7BrO2S and a molecular weight of 223.09 g/mol. Its IUPAC name is acetic acid;2-bromothiophene.

Molecular Properties

Compound Nameacetic acid;2-bromothiophene
PubChem CID175516450
Molecular FormulaC6H7BrO2S
Molecular Weight223.09 g/mol
Exact Mass221.94
IUPAC Nameacetic acid;2-bromothiophene
SMILESBrc1cccs1.CC(=O)O
InChIInChI=1S/C4H3BrS.C2H4O2/c5-4-2-1-3-6-4;1-2(3)4/h1-3H;1H3,(H,3,4)
InChIKeyQEZJAMFNYPGFPK-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-bromothiophene?
The IUPAC name of acetic acid;2-bromothiophene (CID 175516450) is acetic acid;2-bromothiophene.
What is the SMILES notation for acetic acid;2-bromothiophene?
The canonical SMILES for acetic acid;2-bromothiophene is Brc1cccs1.CC(=O)O.
What is the InChIKey of acetic acid;2-bromothiophene?
The InChIKey is QEZJAMFNYPGFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrS.C2H4O2/c5-4-2-1-3-6-4;1-2(3)4/h1-3H;1H3,(H,3,4).
What are the key properties of acetic acid;2-bromothiophene?
acetic acid;2-bromothiophene has a molecular weight of 223.09 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-bromothiophene is sourced from PubChem (CID 175516450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).