2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene

C13H8S2 — CID 642329

IUPAC2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene
SMILESCC#Cc1ccc(C#Cc2cccs2)s1
InChIInChI=1S/C13H8S2/c1-2-4-12-8-9-13(15-12)7-6-11-5-3-10-14-11/h3,5,8-10H,1H3
InChIKeyZGJINZFFSXDNKV-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.58
Rot. Bonds

About 2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene

2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene (PubChem CID 642329) has the molecular formula C13H8S2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene.

Molecular Properties

Compound Name2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene
PubChem CID642329
Molecular FormulaC13H8S2
Molecular Weight228.34 g/mol
Exact Mass228.01
IUPAC Name2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene
SMILESCC#Cc1ccc(C#Cc2cccs2)s1
InChIInChI=1S/C13H8S2/c1-2-4-12-8-9-13(15-12)7-6-11-5-3-10-14-11/h3,5,8-10H,1H3
InChIKeyZGJINZFFSXDNKV-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[3.1.0]hexa-1(6),2,4-triene;2-prop-1-ynylthiophene
CID 175010018
2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 59270675
3-ethyl-2-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-[4-ethyl-5-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]thiophen-2-yl]ethynyl]-5-(2-thiophen-2-ylethynyl)thiophene
CID 101222601
2-[2-(4-methoxyphenyl)ethynyl]thiophene
CID 46218240
2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene
CID 164687205
2-[2-(4-bromophenyl)ethynyl]thiophene
CID 691687
trimethyl-(2-methyl-4-thiophen-2-ylbut-3-yn-2-yl)oxysilane
CID 146003769
ethane;thiophene-2-carbonitrile
CID 143604797
2-[2-(2-phenylphenyl)ethynyl]thiophene
CID 11357429
2-[2-(4-fluoro-3-methylphenyl)ethynyl]thiophene
CID 141140890
N-methyl-N-[(2R)-4-thiophen-2-ylbut-3-yn-2-yl]aniline
CID 138984064
5-prop-1-ynylthieno[3,2-b]thiophene
CID 135040771

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene?
The IUPAC name of 2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene (CID 642329) is 2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene.
What is the SMILES notation for 2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene?
The canonical SMILES for 2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene is CC#Cc1ccc(C#Cc2cccs2)s1.
What is the InChIKey of 2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene?
The InChIKey is ZGJINZFFSXDNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8S2/c1-2-4-12-8-9-13(15-12)7-6-11-5-3-10-14-11/h3,5,8-10H,1H3.
What are the key properties of 2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene?
2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene has a molecular weight of 228.34 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene is sourced from PubChem (CID 642329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).