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

C6H8O2S — CID 20623439

IUPAC2-(2,3-dihydrothiophen-5-yl)acetic acid
SMILESO=C(O)CC1=CCCS1
InChIInChI=1S/C6H8O2S/c7-6(8)4-5-2-1-3-9-5/h2H,1,3-4H2,(H,7,8)
InChIKeyBVZJAQIXKWNOKR-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.48
Rot. Bonds2

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

2-(2,3-dihydrothiophen-5-yl)acetic acid (PubChem CID 20623439) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-5-yl)acetic acid
PubChem CID20623439
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name2-(2,3-dihydrothiophen-5-yl)acetic acid
SMILESO=C(O)CC1=CCCS1
InChIInChI=1S/C6H8O2S/c7-6(8)4-5-2-1-3-9-5/h2H,1,3-4H2,(H,7,8)
InChIKeyBVZJAQIXKWNOKR-UHFFFAOYSA-N
XLogP1.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-5-yl)acetic acid?
The IUPAC name of 2-(2,3-dihydrothiophen-5-yl)acetic acid (CID 20623439) is 2-(2,3-dihydrothiophen-5-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dihydrothiophen-5-yl)acetic acid?
The canonical SMILES for 2-(2,3-dihydrothiophen-5-yl)acetic acid is O=C(O)CC1=CCCS1.
What is the InChIKey of 2-(2,3-dihydrothiophen-5-yl)acetic acid?
The InChIKey is BVZJAQIXKWNOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c7-6(8)4-5-2-1-3-9-5/h2H,1,3-4H2,(H,7,8).
What are the key properties of 2-(2,3-dihydrothiophen-5-yl)acetic acid?
2-(2,3-dihydrothiophen-5-yl)acetic acid has a molecular weight of 144.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-5-yl)acetic acid is sourced from PubChem (CID 20623439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).