2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene

C14H12S2 — CID 23543361

IUPAC2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene
SMILESCc1ccc(Cc2cc3ccccc3s2)s1
InChIInChI=1S/C14H12S2/c1-10-6-7-12(15-10)9-13-8-11-4-2-3-5-14(11)16-13/h2-8H,9H2,1H3
InChIKeyNKZDJHQEGFNZTF-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.86
Rot. Bonds2

About 2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene

2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene (PubChem CID 23543361) has the molecular formula C14H12S2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene.

Molecular Properties

Compound Name2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene
PubChem CID23543361
Molecular FormulaC14H12S2
Molecular Weight244.38 g/mol
Exact Mass244.04
IUPAC Name2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene
SMILESCc1ccc(Cc2cc3ccccc3s2)s1
InChIInChI=1S/C14H12S2/c1-10-6-7-12(15-10)9-13-8-11-4-2-3-5-14(11)16-13/h2-8H,9H2,1H3
InChIKeyNKZDJHQEGFNZTF-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(fluoromethyl)-1-benzothiophene
CID 119085404
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
3-(1-benzothiophen-2-yl)propan-1-ol;ethane
CID 143234864
6-(1-benzothiophen-2-ylmethyl)-1-methylisoquinoline
CID 138480334
1-benzothiophen-2-ylmethanamine;hydroiodide
CID 175928794
2-butyl-1-benzothiophene
CID 70061043
1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine
CID 117194308
2-methyl-5-(thiophen-2-ylmethyl)thiophene
CID 15537513
2-[(3-bromophenyl)methyl]-1-benzothiophene
CID 67069102
2-(ethoxymethyl)-1-benzothiophene
CID 89227680
2-(ethylsulfonylmethyl)-1-benzothiophene
CID 117172797
1-benzothiophen-2-ylmethyl(ethyl)azanium
CID 7175906

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene?
The IUPAC name of 2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene (CID 23543361) is 2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene.
What is the SMILES notation for 2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene?
The canonical SMILES for 2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene is Cc1ccc(Cc2cc3ccccc3s2)s1.
What is the InChIKey of 2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene?
The InChIKey is NKZDJHQEGFNZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S2/c1-10-6-7-12(15-10)9-13-8-11-4-2-3-5-14(11)16-13/h2-8H,9H2,1H3.
What are the key properties of 2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene?
2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene has a molecular weight of 244.38 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene is sourced from PubChem (CID 23543361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).