2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene

C9H10S2 — CID 148641519

IUPAC2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene
SMILESCC1=CCC(c2cccs2)S1
InChIInChI=1S/C9H10S2/c1-7-4-5-9(11-7)8-3-2-6-10-8/h2-4,6,9H,5H2,1H3
InChIKeyNKCRALXICRYZCJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.83
Rot. Bonds1

About 2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene

2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene (PubChem CID 148641519) has the molecular formula C9H10S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene
PubChem CID148641519
Molecular FormulaC9H10S2
Molecular Weight182.31 g/mol
Exact Mass182.02
IUPAC Name2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene
SMILESCC1=CCC(c2cccs2)S1
InChIInChI=1S/C9H10S2/c1-7-4-5-9(11-7)8-3-2-6-10-8/h2-4,6,9H,5H2,1H3
InChIKeyNKCRALXICRYZCJ-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene?
The IUPAC name of 2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene (CID 148641519) is 2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene.
What is the SMILES notation for 2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene?
The canonical SMILES for 2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene is CC1=CCC(c2cccs2)S1.
What is the InChIKey of 2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene?
The InChIKey is NKCRALXICRYZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S2/c1-7-4-5-9(11-7)8-3-2-6-10-8/h2-4,6,9H,5H2,1H3.
What are the key properties of 2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene?
2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene has a molecular weight of 182.31 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene is sourced from PubChem (CID 148641519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).