2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene

C12H10S2 — CID 15313825

IUPAC2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene
SMILESCc1ccc(C#Cc2ccc(C)s2)s1
InChIInChI=1S/C12H10S2/c1-9-3-5-11(13-9)7-8-12-6-4-10(2)14-12/h3-6H,1-2H3
InChIKeyCBTWOEBWGUCUKB-UHFFFAOYSA-N
MW218.35 g/mol
LogP3.83
Rot. Bonds

About 2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene

2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene (PubChem CID 15313825) has the molecular formula C12H10S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene
PubChem CID15313825
Molecular FormulaC12H10S2
Molecular Weight218.35 g/mol
Exact Mass218.02
IUPAC Name2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene
SMILESCc1ccc(C#Cc2ccc(C)s2)s1
InChIInChI=1S/C12H10S2/c1-9-3-5-11(13-9)7-8-12-6-4-10(2)14-12/h3-6H,1-2H3
InChIKeyCBTWOEBWGUCUKB-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene?
The IUPAC name of 2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene (CID 15313825) is 2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene.
What is the SMILES notation for 2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene?
The canonical SMILES for 2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene is Cc1ccc(C#Cc2ccc(C)s2)s1.
What is the InChIKey of 2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene?
The InChIKey is CBTWOEBWGUCUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S2/c1-9-3-5-11(13-9)7-8-12-6-4-10(2)14-12/h3-6H,1-2H3.
What are the key properties of 2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene?
2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene has a molecular weight of 218.35 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(5-methylthiophen-2-yl)ethynyl]thiophene is sourced from PubChem (CID 15313825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).