2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene

C12H16S2 — CID 155021662

IUPAC2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene
SMILESCC(C)Cc1ccsc1C1CC=CS1
InChIInChI=1S/C12H16S2/c1-9(2)8-10-5-7-14-12(10)11-4-3-6-13-11/h3,5-7,9,11H,4,8H2,1-2H3
InChIKeyWFRSEEHVZUGNKT-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.64
Rot. Bonds3

About 2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene

2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene (PubChem CID 155021662) has the molecular formula C12H16S2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene
PubChem CID155021662
Molecular FormulaC12H16S2
Molecular Weight224.39 g/mol
Exact Mass224.07
IUPAC Name2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene
SMILESCC(C)Cc1ccsc1C1CC=CS1
InChIInChI=1S/C12H16S2/c1-9(2)8-10-5-7-14-12(10)11-4-3-6-13-11/h3,5-7,9,11H,4,8H2,1-2H3
InChIKeyWFRSEEHVZUGNKT-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene?
The IUPAC name of 2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene (CID 155021662) is 2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene.
What is the SMILES notation for 2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene?
The canonical SMILES for 2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene is CC(C)Cc1ccsc1C1CC=CS1.
What is the InChIKey of 2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene?
The InChIKey is WFRSEEHVZUGNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S2/c1-9(2)8-10-5-7-14-12(10)11-4-3-6-13-11/h3,5-7,9,11H,4,8H2,1-2H3.
What are the key properties of 2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene?
2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene has a molecular weight of 224.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-2-yl)-3-(2-methylpropyl)thiophene is sourced from PubChem (CID 155021662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).