2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene

C8H10Br2O2S2 — CID 104521556

IUPAC2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene
SMILESCC(C(Br)c1ccc(Br)s1)S(C)(=O)=O
InChIInChI=1S/C8H10Br2O2S2/c1-5(14(2,11)12)8(10)6-3-4-7(9)13-6/h3-5,8H,1-2H3
InChIKeyYALGCIHYTYWDAG-UHFFFAOYSA-N
MW362.11 g/mol
LogP3.38
Rot. Bonds3

About 2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene

2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene (PubChem CID 104521556) has the molecular formula C8H10Br2O2S2 and a molecular weight of 362.11 g/mol. Its IUPAC name is 2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene
PubChem CID104521556
Molecular FormulaC8H10Br2O2S2
Molecular Weight362.11 g/mol
Exact Mass359.85
IUPAC Name2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene
SMILESCC(C(Br)c1ccc(Br)s1)S(C)(=O)=O
InChIInChI=1S/C8H10Br2O2S2/c1-5(14(2,11)12)8(10)6-3-4-7(9)13-6/h3-5,8H,1-2H3
InChIKeyYALGCIHYTYWDAG-UHFFFAOYSA-N
XLogP3.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.11
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromo-2-methylsulfonylpropyl)-5-tert-butylthiophene
CID 104521704
5-bromo-3-(1-bromo-2-methylsulfonylpropyl)-2-methylthiophene
CID 104521636
2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
CID 103310733
2-bromo-5-(1-bromo-3-methylbutyl)thiophene
CID 63444379
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
2-bromo-5-(1-bromo-2-ethylhexyl)thiophene
CID 63443930
2-(5-bromothiophen-2-yl)-4-methylpentanal
CID 83844459
1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine
CID 102828055
2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene
CID 81124929
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
CID 60999476
2-(5-bromothiophen-2-yl)propanehydrazide
CID 116843844
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene?
The IUPAC name of 2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene (CID 104521556) is 2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene.
What is the SMILES notation for 2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene?
The canonical SMILES for 2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene is CC(C(Br)c1ccc(Br)s1)S(C)(=O)=O.
What is the InChIKey of 2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene?
The InChIKey is YALGCIHYTYWDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2O2S2/c1-5(14(2,11)12)8(10)6-3-4-7(9)13-6/h3-5,8H,1-2H3.
What are the key properties of 2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene?
2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene has a molecular weight of 362.11 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene is sourced from PubChem (CID 104521556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).