2-chloro-5-hex-4-yn-2-ylthiophene

C10H11ClS — CID 83934894

IUPAC2-chloro-5-hex-4-yn-2-ylthiophene
SMILESCC#CCC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H11ClS/c1-3-4-5-8(2)9-6-7-10(11)12-9/h6-8H,5H2,1-2H3
InChIKeyGUVPFOZTBCMGAU-UHFFFAOYSA-N
MW198.72 g/mol
LogP3.92
Rot. Bonds2

About 2-chloro-5-hex-4-yn-2-ylthiophene

2-chloro-5-hex-4-yn-2-ylthiophene (PubChem CID 83934894) has the molecular formula C10H11ClS and a molecular weight of 198.72 g/mol. Its IUPAC name is 2-chloro-5-hex-4-yn-2-ylthiophene.

Molecular Properties

Compound Name2-chloro-5-hex-4-yn-2-ylthiophene
PubChem CID83934894
Molecular FormulaC10H11ClS
Molecular Weight198.72 g/mol
Exact Mass198.03
IUPAC Name2-chloro-5-hex-4-yn-2-ylthiophene
SMILESCC#CCC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H11ClS/c1-3-4-5-8(2)9-6-7-10(11)12-9/h6-8H,5H2,1-2H3
InChIKeyGUVPFOZTBCMGAU-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.72
LogP ≤ 53.92
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

N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-yn-1-amine
CID 62309744
3-(5-chlorothiophen-2-yl)butan-1-ol
CID 82075571
3-(5-chlorothiophen-2-yl)butane-1-thiol
CID 83934850
1-chloro-4-hex-4-yn-2-ylbenzene
CID 83931166
2-amino-5-(5-chlorothiophen-2-yl)hexan-3-ol
CID 83934933
3-(5-chlorothiophen-2-yl)-N-propan-2-ylbutan-1-amine
CID 81018474
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930
2-chloro-5-(1-chloropropyl)thiophene
CID 61086027
2-(5-chlorothiophen-2-yl)-3-methylbutanenitrile
CID 82076378

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hex-4-yn-2-ylthiophene?
The IUPAC name of 2-chloro-5-hex-4-yn-2-ylthiophene (CID 83934894) is 2-chloro-5-hex-4-yn-2-ylthiophene.
What is the SMILES notation for 2-chloro-5-hex-4-yn-2-ylthiophene?
The canonical SMILES for 2-chloro-5-hex-4-yn-2-ylthiophene is CC#CCC(C)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-hex-4-yn-2-ylthiophene?
The InChIKey is GUVPFOZTBCMGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClS/c1-3-4-5-8(2)9-6-7-10(11)12-9/h6-8H,5H2,1-2H3.
What are the key properties of 2-chloro-5-hex-4-yn-2-ylthiophene?
2-chloro-5-hex-4-yn-2-ylthiophene has a molecular weight of 198.72 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hex-4-yn-2-ylthiophene is sourced from PubChem (CID 83934894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).