(2-benzylthiophen-3-yl) acetate

C13H12O2S — CID 154145166

IUPAC(2-benzylthiophen-3-yl) acetate
SMILESCC(=O)Oc1ccsc1Cc1ccccc1
InChIInChI=1S/C13H12O2S/c1-10(14)15-12-7-8-16-13(12)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyDZWGARLOQIOXRG-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.26
Rot. Bonds3

About (2-benzylthiophen-3-yl) acetate

(2-benzylthiophen-3-yl) acetate (PubChem CID 154145166) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is (2-benzylthiophen-3-yl) acetate.

Molecular Properties

Compound Name(2-benzylthiophen-3-yl) acetate
PubChem CID154145166
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name(2-benzylthiophen-3-yl) acetate
SMILESCC(=O)Oc1ccsc1Cc1ccccc1
InChIInChI=1S/C13H12O2S/c1-10(14)15-12-7-8-16-13(12)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyDZWGARLOQIOXRG-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzylthiophen-3-yl) acetate?
The IUPAC name of (2-benzylthiophen-3-yl) acetate (CID 154145166) is (2-benzylthiophen-3-yl) acetate.
What is the SMILES notation for (2-benzylthiophen-3-yl) acetate?
The canonical SMILES for (2-benzylthiophen-3-yl) acetate is CC(=O)Oc1ccsc1Cc1ccccc1.
What is the InChIKey of (2-benzylthiophen-3-yl) acetate?
The InChIKey is DZWGARLOQIOXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-10(14)15-12-7-8-16-13(12)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of (2-benzylthiophen-3-yl) acetate?
(2-benzylthiophen-3-yl) acetate has a molecular weight of 232.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylthiophen-3-yl) acetate is sourced from PubChem (CID 154145166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).