2-bromo-5-(1-bromo-3-methylbutyl)thiophene

C9H12Br2S — CID 63444379

IUPAC2-bromo-5-(1-bromo-3-methylbutyl)thiophene
SMILESCC(C)CC(Br)c1ccc(Br)s1
InChIInChI=1S/C9H12Br2S/c1-6(2)5-7(10)8-3-4-9(11)12-8/h3-4,6-7H,5H2,1-2H3
InChIKeyGWMNXPHJAOOCOB-UHFFFAOYSA-N
MW312.07 g/mol
LogP4.99
Rot. Bonds3

About 2-bromo-5-(1-bromo-3-methylbutyl)thiophene

2-bromo-5-(1-bromo-3-methylbutyl)thiophene (PubChem CID 63444379) has the molecular formula C9H12Br2S and a molecular weight of 312.07 g/mol. Its IUPAC name is 2-bromo-5-(1-bromo-3-methylbutyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(1-bromo-3-methylbutyl)thiophene
PubChem CID63444379
Molecular FormulaC9H12Br2S
Molecular Weight312.07 g/mol
Exact Mass309.90
IUPAC Name2-bromo-5-(1-bromo-3-methylbutyl)thiophene
SMILESCC(C)CC(Br)c1ccc(Br)s1
InChIInChI=1S/C9H12Br2S/c1-6(2)5-7(10)8-3-4-9(11)12-8/h3-4,6-7H,5H2,1-2H3
InChIKeyGWMNXPHJAOOCOB-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.07
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromothiophen-2-yl)-4-methylpentanal
CID 83844459
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
2-bromo-5-(1-bromoheptyl)thiophene
CID 114753618
N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine
CID 63421410
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721712
2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene
CID 63443929
3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 81338565
6-(5-bromothiophen-2-yl)heptane-3,4-diol
CID 83935051
2-amino-5-(5-bromothiophen-2-yl)hexan-3-ol
CID 83935038
1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene
CID 103557781

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-bromo-3-methylbutyl)thiophene?
The IUPAC name of 2-bromo-5-(1-bromo-3-methylbutyl)thiophene (CID 63444379) is 2-bromo-5-(1-bromo-3-methylbutyl)thiophene.
What is the SMILES notation for 2-bromo-5-(1-bromo-3-methylbutyl)thiophene?
The canonical SMILES for 2-bromo-5-(1-bromo-3-methylbutyl)thiophene is CC(C)CC(Br)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(1-bromo-3-methylbutyl)thiophene?
The InChIKey is GWMNXPHJAOOCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2S/c1-6(2)5-7(10)8-3-4-9(11)12-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-bromo-5-(1-bromo-3-methylbutyl)thiophene?
2-bromo-5-(1-bromo-3-methylbutyl)thiophene has a molecular weight of 312.07 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-bromo-3-methylbutyl)thiophene is sourced from PubChem (CID 63444379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).