(2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde

C6H3Br2ClOS — CID 175222168

IUPAC(2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde
SMILESO=C[C@H](Cl)c1cc(Br)c(Br)s1
InChIInChI=1S/C6H3Br2ClOS/c7-3-1-5(4(9)2-10)11-6(3)8/h1-2,4H/t4-/m0/s1
InChIKeyAEKFBUMHBZYUHR-BYPYZUCNSA-N
MW318.42 g/mol
LogP3.75
Rot. Bonds2

About (2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde

(2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde (PubChem CID 175222168) has the molecular formula C6H3Br2ClOS and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde.

Molecular Properties

Compound Name(2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde
PubChem CID175222168
Molecular FormulaC6H3Br2ClOS
Molecular Weight318.42 g/mol
Exact Mass315.80
IUPAC Name(2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde
SMILESO=C[C@H](Cl)c1cc(Br)c(Br)s1
InChIInChI=1S/C6H3Br2ClOS/c7-3-1-5(4(9)2-10)11-6(3)8/h1-2,4H/t4-/m0/s1
InChIKeyAEKFBUMHBZYUHR-BYPYZUCNSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-dibromo-5-(1-chloro-2,2-dimethylpropyl)thiophene
CID 80534293
2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene
CID 80538783
2,3-dibromo-5-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]thiophene
CID 80538718
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid
CID 102841092
2,3-dibromo-5-[chloro-(4-propan-2-ylphenyl)methyl]thiophene
CID 80534087
2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene
CID 80534336
(1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171235170
2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone
CID 102844193
2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide
CID 102844190
(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
CID 171215559
2,3-dibromo-5-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]thiophene
CID 80538747

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde?
The IUPAC name of (2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde (CID 175222168) is (2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde.
What is the SMILES notation for (2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde?
The canonical SMILES for (2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde is O=C[C@H](Cl)c1cc(Br)c(Br)s1.
What is the InChIKey of (2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde?
The InChIKey is AEKFBUMHBZYUHR-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H3Br2ClOS/c7-3-1-5(4(9)2-10)11-6(3)8/h1-2,4H/t4-/m0/s1.
What are the key properties of (2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde?
(2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde has a molecular weight of 318.42 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde is sourced from PubChem (CID 175222168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).