thiolan-3-yl 2-hydroxyacetate

C6H10O3S — CID 131081723

IUPACthiolan-3-yl 2-hydroxyacetate
SMILESO=C(CO)OC1CCSC1
InChIInChI=1S/C6H10O3S/c7-3-6(8)9-5-1-2-10-4-5/h5,7H,1-4H2
InChIKeyJAXYWJSNKMQHRT-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.03
Rot. Bonds2

About thiolan-3-yl 2-hydroxyacetate

thiolan-3-yl 2-hydroxyacetate (PubChem CID 131081723) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is thiolan-3-yl 2-hydroxyacetate.

Molecular Properties

Compound Namethiolan-3-yl 2-hydroxyacetate
PubChem CID131081723
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Namethiolan-3-yl 2-hydroxyacetate
SMILESO=C(CO)OC1CCSC1
InChIInChI=1S/C6H10O3S/c7-3-6(8)9-5-1-2-10-4-5/h5,7H,1-4H2
InChIKeyJAXYWJSNKMQHRT-UHFFFAOYSA-N
XLogP0.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

thiolan-3-yl 2-methylcyclopropane-1-carboxylate
CID 130708259
(4,4-dimethylcyclohexyl) 2-hydroxyacetate
CID 131154209
cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid
CID 158703684
3-ethoxythiolane
CID 58836454
methyl 2-(3-aminothian-4-yl)acetate
CID 84662262
cyclopentyl 2-thiomorpholin-3-ylacetate
CID 66445864
thian-3-yl oxetane-3-carboxylate
CID 130637476
[(3S)-thiolan-3-yl] 3-methoxy-5-methylthiophene-2-carboxylate
CID 95906441
3-[(3Z)-5-nitrohexa-1,3,5-trien-2-yl]oxythiolane
CID 170792341
ethyl 3-oxo-2-(thiolan-3-yloxyimino)butanoate
CID 54355551
methyl 2-[(3R,4S)-4-aminothian-3-yl]acetate
CID 105443914
cyclopentyl thiomorpholine-3-carboxylate
CID 82904457

Frequently Asked Questions

What is the IUPAC name of thiolan-3-yl 2-hydroxyacetate?
The IUPAC name of thiolan-3-yl 2-hydroxyacetate (CID 131081723) is thiolan-3-yl 2-hydroxyacetate.
What is the SMILES notation for thiolan-3-yl 2-hydroxyacetate?
The canonical SMILES for thiolan-3-yl 2-hydroxyacetate is O=C(CO)OC1CCSC1.
What is the InChIKey of thiolan-3-yl 2-hydroxyacetate?
The InChIKey is JAXYWJSNKMQHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c7-3-6(8)9-5-1-2-10-4-5/h5,7H,1-4H2.
What are the key properties of thiolan-3-yl 2-hydroxyacetate?
thiolan-3-yl 2-hydroxyacetate has a molecular weight of 162.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-3-yl 2-hydroxyacetate is sourced from PubChem (CID 131081723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).