2-bromo-5-hex-5-yn-3-ylthiophene

C10H11BrS — CID 83935010

IUPAC2-bromo-5-hex-5-yn-3-ylthiophene
SMILESC#CCC(CC)c1ccc(Br)s1
InChIInChI=1S/C10H11BrS/c1-3-5-8(4-2)9-6-7-10(11)12-9/h1,6-8H,4-5H2,2H3
InChIKeyGXNIVCGAXAATJU-UHFFFAOYSA-N
MW243.17 g/mol
LogP4.03
Rot. Bonds3

About 2-bromo-5-hex-5-yn-3-ylthiophene

2-bromo-5-hex-5-yn-3-ylthiophene (PubChem CID 83935010) has the molecular formula C10H11BrS and a molecular weight of 243.17 g/mol. Its IUPAC name is 2-bromo-5-hex-5-yn-3-ylthiophene.

Molecular Properties

Compound Name2-bromo-5-hex-5-yn-3-ylthiophene
PubChem CID83935010
Molecular FormulaC10H11BrS
Molecular Weight243.17 g/mol
Exact Mass241.98
IUPAC Name2-bromo-5-hex-5-yn-3-ylthiophene
SMILESC#CCC(CC)c1ccc(Br)s1
InChIInChI=1S/C10H11BrS/c1-3-5-8(4-2)9-6-7-10(11)12-9/h1,6-8H,4-5H2,2H3
InChIKeyGXNIVCGAXAATJU-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hex-5-yn-3-yl-5-methylthiophene
CID 83929307
2-ethyl-5-hex-5-yn-3-ylthiophene
CID 83929427
5-bromo-N-hex-5-yn-3-ylthiophene-2-carboxamide
CID 115647089
2-(5-bromothiophen-2-yl)-2-(prop-2-ynylamino)acetonitrile
CID 62354902
1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
CID 61081920
1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
CID 130715091
1-(5-bromothiophen-2-yl)propylhydrazine
CID 105222163
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535
2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine
CID 83824574
2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine
CID 117240735

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-hex-5-yn-3-ylthiophene?
The IUPAC name of 2-bromo-5-hex-5-yn-3-ylthiophene (CID 83935010) is 2-bromo-5-hex-5-yn-3-ylthiophene.
What is the SMILES notation for 2-bromo-5-hex-5-yn-3-ylthiophene?
The canonical SMILES for 2-bromo-5-hex-5-yn-3-ylthiophene is C#CCC(CC)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-hex-5-yn-3-ylthiophene?
The InChIKey is GXNIVCGAXAATJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrS/c1-3-5-8(4-2)9-6-7-10(11)12-9/h1,6-8H,4-5H2,2H3.
What are the key properties of 2-bromo-5-hex-5-yn-3-ylthiophene?
2-bromo-5-hex-5-yn-3-ylthiophene has a molecular weight of 243.17 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-hex-5-yn-3-ylthiophene is sourced from PubChem (CID 83935010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).