2-(3,5-dimethylthiophen-2-yl)acetic acid

C8H10O2S — CID 21260742

IUPAC2-(3,5-dimethylthiophen-2-yl)acetic acid
SMILESCc1cc(C)c(CC(=O)O)s1
InChIInChI=1S/C8H10O2S/c1-5-3-6(2)11-7(5)4-8(9)10/h3H,4H2,1-2H3,(H,9,10)
InChIKeyJHWOGQXJVAHIFI-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.99
Rot. Bonds2

About 2-(3,5-dimethylthiophen-2-yl)acetic acid

2-(3,5-dimethylthiophen-2-yl)acetic acid (PubChem CID 21260742) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-(3,5-dimethylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethylthiophen-2-yl)acetic acid
PubChem CID21260742
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-(3,5-dimethylthiophen-2-yl)acetic acid
SMILESCc1cc(C)c(CC(=O)O)s1
InChIInChI=1S/C8H10O2S/c1-5-3-6(2)11-7(5)4-8(9)10/h3H,4H2,1-2H3,(H,9,10)
InChIKeyJHWOGQXJVAHIFI-UHFFFAOYSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(3,5-dimethylthiophen-2-yl)acetic acid (CID 21260742) is 2-(3,5-dimethylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(3,5-dimethylthiophen-2-yl)acetic acid is Cc1cc(C)c(CC(=O)O)s1.
What is the InChIKey of 2-(3,5-dimethylthiophen-2-yl)acetic acid?
The InChIKey is JHWOGQXJVAHIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-5-3-6(2)11-7(5)4-8(9)10/h3H,4H2,1-2H3,(H,9,10).
What are the key properties of 2-(3,5-dimethylthiophen-2-yl)acetic acid?
2-(3,5-dimethylthiophen-2-yl)acetic acid has a molecular weight of 170.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylthiophen-2-yl)acetic acid is sourced from PubChem (CID 21260742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).