2-(3-hydroxythietan-3-yl)acetic acid

C5H8O3S — CID 82594638

IUPAC2-(3-hydroxythietan-3-yl)acetic acid
SMILESO=C(O)CC1(O)CSC1
InChIInChI=1S/C5H8O3S/c6-4(7)1-5(8)2-9-3-5/h8H,1-3H2,(H,6,7)
InChIKeyFHJVLSKOACABIU-UHFFFAOYSA-N
MW148.18 g/mol
LogP-0.06
Rot. Bonds2

About 2-(3-hydroxythietan-3-yl)acetic acid

2-(3-hydroxythietan-3-yl)acetic acid (PubChem CID 82594638) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-(3-hydroxythietan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxythietan-3-yl)acetic acid
PubChem CID82594638
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name2-(3-hydroxythietan-3-yl)acetic acid
SMILESO=C(O)CC1(O)CSC1
InChIInChI=1S/C5H8O3S/c6-4(7)1-5(8)2-9-3-5/h8H,1-3H2,(H,6,7)
InChIKeyFHJVLSKOACABIU-UHFFFAOYSA-N
XLogP-0.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxythietan-3-yl)acetic acid?
The IUPAC name of 2-(3-hydroxythietan-3-yl)acetic acid (CID 82594638) is 2-(3-hydroxythietan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxythietan-3-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxythietan-3-yl)acetic acid is O=C(O)CC1(O)CSC1.
What is the InChIKey of 2-(3-hydroxythietan-3-yl)acetic acid?
The InChIKey is FHJVLSKOACABIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c6-4(7)1-5(8)2-9-3-5/h8H,1-3H2,(H,6,7).
What are the key properties of 2-(3-hydroxythietan-3-yl)acetic acid?
2-(3-hydroxythietan-3-yl)acetic acid has a molecular weight of 148.18 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxythietan-3-yl)acetic acid is sourced from PubChem (CID 82594638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).