2-(1-benzothiophen-2-yl)acetic acid

C10H8O2S — CID 12765065

IUPAC2-(1-benzothiophen-2-yl)acetic acid
SMILESO=C(O)Cc1cc2ccccc2s1
InChIInChI=1S/C10H8O2S/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12)
InChIKeySAAWNQLNUJBOLW-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.53
Rot. Bonds2

About 2-(1-benzothiophen-2-yl)acetic acid

2-(1-benzothiophen-2-yl)acetic acid (PubChem CID 12765065) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)acetic acid
PubChem CID12765065
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name2-(1-benzothiophen-2-yl)acetic acid
SMILESO=C(O)Cc1cc2ccccc2s1
InChIInChI=1S/C10H8O2S/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12)
InChIKeySAAWNQLNUJBOLW-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)acetic acid?
The IUPAC name of 2-(1-benzothiophen-2-yl)acetic acid (CID 12765065) is 2-(1-benzothiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)acetic acid?
The canonical SMILES for 2-(1-benzothiophen-2-yl)acetic acid is O=C(O)Cc1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)acetic acid?
The InChIKey is SAAWNQLNUJBOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12).
What are the key properties of 2-(1-benzothiophen-2-yl)acetic acid?
2-(1-benzothiophen-2-yl)acetic acid has a molecular weight of 192.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)acetic acid is sourced from PubChem (CID 12765065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).