3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene

C14H12S2 — CID 23543485

IUPAC3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene
SMILESCc1csc2c(Cc3ccsc3)cccc12
InChIInChI=1S/C14H12S2/c1-10-8-16-14-12(3-2-4-13(10)14)7-11-5-6-15-9-11/h2-6,8-9H,7H2,1H3
InChIKeyNLEHGHZMJGSMPH-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.86
Rot. Bonds2

About 3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene

3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene (PubChem CID 23543485) has the molecular formula C14H12S2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene.

Molecular Properties

Compound Name3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene
PubChem CID23543485
Molecular FormulaC14H12S2
Molecular Weight244.38 g/mol
Exact Mass244.04
IUPAC Name3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene
SMILESCc1csc2c(Cc3ccsc3)cccc12
InChIInChI=1S/C14H12S2/c1-10-8-16-14-12(3-2-4-13(10)14)7-11-5-6-15-9-11/h2-6,8-9H,7H2,1H3
InChIKeyNLEHGHZMJGSMPH-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

7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene
CID 23543580
7-(bromomethyl)-3-methyl-1-benzothiophene
CID 14780499
3-methyl-7-thiophen-3-yl-1-benzothiophene
CID 23543483
3-methyl-1-benzothiophen-7-amine
CID 12675888
N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 2603904
3-(thiophen-3-ylmethyl)-1H-indol-7-ol
CID 91807347
3-[2-[2-(bromomethyl)-6-methylphenoxy]ethyl]thiophene
CID 112614183
1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62607480
N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 112609224
N-(2-amino-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 43152262
3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene
CID 66049250
6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol
CID 131138081

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene?
The IUPAC name of 3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene (CID 23543485) is 3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene.
What is the SMILES notation for 3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene?
The canonical SMILES for 3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene is Cc1csc2c(Cc3ccsc3)cccc12.
What is the InChIKey of 3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene?
The InChIKey is NLEHGHZMJGSMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S2/c1-10-8-16-14-12(3-2-4-13(10)14)7-11-5-6-15-9-11/h2-6,8-9H,7H2,1H3.
What are the key properties of 3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene?
3-methyl-7-(thiophen-3-ylmethyl)-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 3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene is sourced from PubChem (CID 23543485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).