chlorozinc(1+);2-ethynylthiophene

C6H3ClSZn — CID 14144481

IUPACchlorozinc(1+);2-ethynylthiophene
SMILESCl[Zn+].[C-]#Cc1cccs1
InChIInChI=1S/C6H3S.ClH.Zn/c1-2-6-4-3-5-7-6;;/h3-5H;1H;/q-1;;+2/p-1
InChIKeyJUPVZCVIHJPFJQ-UHFFFAOYSA-M
MW208.00 g/mol
LogP2.37
Rot. Bonds

About chlorozinc(1+);2-ethynylthiophene

chlorozinc(1+);2-ethynylthiophene (PubChem CID 14144481) has the molecular formula C6H3ClSZn and a molecular weight of 208.00 g/mol. Its IUPAC name is chlorozinc(1+);2-ethynylthiophene.

Molecular Properties

Compound Namechlorozinc(1+);2-ethynylthiophene
PubChem CID14144481
Molecular FormulaC6H3ClSZn
Molecular Weight208.00 g/mol
Exact Mass205.89
IUPAC Namechlorozinc(1+);2-ethynylthiophene
SMILESCl[Zn+].[C-]#Cc1cccs1
InChIInChI=1S/C6H3S.ClH.Zn/c1-2-6-4-3-5-7-6;;/h3-5H;1H;/q-1;;+2/p-1
InChIKeyJUPVZCVIHJPFJQ-UHFFFAOYSA-M
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

copper(1+);2-ethynylthiophene
CID 86222395
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CID 143604797
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2-ethynylthiophene;thiophene
CID 175440846
2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene
CID 642329
2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene
CID 164687205
4-thiophen-2-ylbut-3-ynenitrile
CID 170474196
2-[2-(4-bromophenyl)ethynyl]thiophene
CID 691687
2-[2-(4-chlorophenyl)sulfanylethynyl]thiophene
CID 154719973
2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 59270675
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-prop-1-ynylthiophene
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2-[2-(2-phenylphenyl)ethynyl]thiophene
CID 11357429

Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);2-ethynylthiophene?
The IUPAC name of chlorozinc(1+);2-ethynylthiophene (CID 14144481) is chlorozinc(1+);2-ethynylthiophene.
What is the SMILES notation for chlorozinc(1+);2-ethynylthiophene?
The canonical SMILES for chlorozinc(1+);2-ethynylthiophene is Cl[Zn+].[C-]#Cc1cccs1.
What is the InChIKey of chlorozinc(1+);2-ethynylthiophene?
The InChIKey is JUPVZCVIHJPFJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3S.ClH.Zn/c1-2-6-4-3-5-7-6;;/h3-5H;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);2-ethynylthiophene?
chlorozinc(1+);2-ethynylthiophene has a molecular weight of 208.00 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);2-ethynylthiophene is sourced from PubChem (CID 14144481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).