2-methyl-5-thiophen-2-ylthiophene;propane

C12H16S2 — CID 142257628

IUPAC2-methyl-5-thiophen-2-ylthiophene;propane
SMILESCCC.Cc1ccc(-c2cccs2)s1
InChIInChI=1S/C9H8S2.C3H8/c1-7-4-5-9(11-7)8-3-2-6-10-8;1-3-2/h2-6H,1H3;3H2,1-2H3
InChIKeyHAADMHJSMSXUPH-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.20
Rot. Bonds1

About 2-methyl-5-thiophen-2-ylthiophene;propane

2-methyl-5-thiophen-2-ylthiophene;propane (PubChem CID 142257628) has the molecular formula C12H16S2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-ylthiophene;propane.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-ylthiophene;propane
PubChem CID142257628
Molecular FormulaC12H16S2
Molecular Weight224.39 g/mol
Exact Mass224.07
IUPAC Name2-methyl-5-thiophen-2-ylthiophene;propane
SMILESCCC.Cc1ccc(-c2cccs2)s1
InChIInChI=1S/C9H8S2.C3H8/c1-7-4-5-9(11-7)8-3-2-6-10-8;1-3-2/h2-6H,1H3;3H2,1-2H3
InChIKeyHAADMHJSMSXUPH-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-ylthiophene;propane?
The IUPAC name of 2-methyl-5-thiophen-2-ylthiophene;propane (CID 142257628) is 2-methyl-5-thiophen-2-ylthiophene;propane.
What is the SMILES notation for 2-methyl-5-thiophen-2-ylthiophene;propane?
The canonical SMILES for 2-methyl-5-thiophen-2-ylthiophene;propane is CCC.Cc1ccc(-c2cccs2)s1.
What is the InChIKey of 2-methyl-5-thiophen-2-ylthiophene;propane?
The InChIKey is HAADMHJSMSXUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S2.C3H8/c1-7-4-5-9(11-7)8-3-2-6-10-8;1-3-2/h2-6H,1H3;3H2,1-2H3.
What are the key properties of 2-methyl-5-thiophen-2-ylthiophene;propane?
2-methyl-5-thiophen-2-ylthiophene;propane has a molecular weight of 224.39 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-ylthiophene;propane is sourced from PubChem (CID 142257628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).