3-(2-methyl-3H-inden-1-yl)thiophene

C14H12S — CID 90234103

IUPAC3-(2-methyl-3H-inden-1-yl)thiophene
SMILESCC1=C(c2ccsc2)c2ccccc2C1
InChIInChI=1S/C14H12S/c1-10-8-11-4-2-3-5-13(11)14(10)12-6-7-15-9-12/h2-7,9H,8H2,1H3
InChIKeyNJQVEGFIKCFJRQ-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.13
Rot. Bonds1

About 3-(2-methyl-3H-inden-1-yl)thiophene

3-(2-methyl-3H-inden-1-yl)thiophene (PubChem CID 90234103) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(2-methyl-3H-inden-1-yl)thiophene.

Molecular Properties

Compound Name3-(2-methyl-3H-inden-1-yl)thiophene
PubChem CID90234103
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name3-(2-methyl-3H-inden-1-yl)thiophene
SMILESCC1=C(c2ccsc2)c2ccccc2C1
InChIInChI=1S/C14H12S/c1-10-8-11-4-2-3-5-13(11)14(10)12-6-7-15-9-12/h2-7,9H,8H2,1H3
InChIKeyNJQVEGFIKCFJRQ-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3H-inden-1-yl)thiophene?
The IUPAC name of 3-(2-methyl-3H-inden-1-yl)thiophene (CID 90234103) is 3-(2-methyl-3H-inden-1-yl)thiophene.
What is the SMILES notation for 3-(2-methyl-3H-inden-1-yl)thiophene?
The canonical SMILES for 3-(2-methyl-3H-inden-1-yl)thiophene is CC1=C(c2ccsc2)c2ccccc2C1.
What is the InChIKey of 3-(2-methyl-3H-inden-1-yl)thiophene?
The InChIKey is NJQVEGFIKCFJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-10-8-11-4-2-3-5-13(11)14(10)12-6-7-15-9-12/h2-7,9H,8H2,1H3.
What are the key properties of 3-(2-methyl-3H-inden-1-yl)thiophene?
3-(2-methyl-3H-inden-1-yl)thiophene has a molecular weight of 212.32 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3H-inden-1-yl)thiophene is sourced from PubChem (CID 90234103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).