methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate

C6H10O3S — CID 5325390

IUPACmethyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate
SMILESCOC(=O)[C@@H]1CS[C@H](C)O1
InChIInChI=1S/C6H10O3S/c1-4-9-5(3-10-4)6(7)8-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyOZKHMOLYVGGOPV-UHNVWZDZSA-N
MW162.21 g/mol
LogP0.64
Rot. Bonds1

About methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate

methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate (PubChem CID 5325390) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate
PubChem CID5325390
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Namemethyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate
SMILESCOC(=O)[C@@H]1CS[C@H](C)O1
InChIInChI=1S/C6H10O3S/c1-4-9-5(3-10-4)6(7)8-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyOZKHMOLYVGGOPV-UHNVWZDZSA-N
XLogP0.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-Methyl 2-(acetyloxy)propanethioate
CID 57509249
Methylthio 2-(propionyloxy) propionate
CID 20831779
4-Dimethylsulfonio-2-meth-oxybutyrate
CID 20847560
3-Acetoxythiolane
CID 21521664
(s)-4-Dimethylsulfonio-2-methoxybutyrate
CID 23426754
(r)-3-Di-methylsulfonio-2-methoxypropanoate
CID 23427956
Methyl 5-methyl-1,3-oxathiolane-5-carboxylate
CID 132277240
Methyl 2-(1,3-dithiolan-2-yl)-2-methoxyacetate
CID 134936251
Ethyl 2-(1,3-dithiolan-2-yl)-2-methoxyacetate
CID 134936252
3,6-Dimethyl-1,4-oxathiane-2,5-dione
CID 171383555
ethyl (2R)-2-methyl-1,3-oxathiolane-2-carboxylate
CID 5325392
ethyl (2S,6S)-6-methyl-1,3-oxathiane-2-carboxylate
CID 5325396

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate?
The IUPAC name of methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate (CID 5325390) is methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate.
What is the SMILES notation for methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate?
The canonical SMILES for methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate is COC(=O)[C@@H]1CS[C@H](C)O1.
What is the InChIKey of methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate?
The InChIKey is OZKHMOLYVGGOPV-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10O3S/c1-4-9-5(3-10-4)6(7)8-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1.
What are the key properties of methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate?
methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate has a molecular weight of 162.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R)-2-methyl-1,3-oxathiolane-5-carboxylate is sourced from PubChem (CID 5325390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).