methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate

C10H12O3S — CID 10751029

IUPACmethyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
SMILESCOC(=O)C[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C10H12O3S/c1-8-3-5-9(6-4-8)14(12)7-10(11)13-2/h3-6H,7H2,1-2H3/t14-/m1/s1
InChIKeyOYRGZVMTNKAJPR-CQSZACIVSA-N
MW212.27 g/mol
LogP1.28
Rot. Bonds3

About methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate

methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate (PubChem CID 10751029) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
PubChem CID10751029
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Namemethyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
SMILESCOC(=O)C[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C10H12O3S/c1-8-3-5-9(6-4-8)14(12)7-10(11)13-2/h3-6H,7H2,1-2H3/t14-/m1/s1
InChIKeyOYRGZVMTNKAJPR-CQSZACIVSA-N
XLogP1.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-[(S)-(4-methylphenyl)sulfinyl]-5-oxohexanoate
CID 14889052
2-[(S)-(4-methylphenyl)sulfinyl]acetic acid
CID 54403067
N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide
CID 10867970
1-chloro-3-(4-methylphenyl)sulfinylpropan-2-one
CID 13495347
methyl (5R)-5-hydroxy-6-(4-methylphenyl)sulfinyl-3-oxohexanoate
CID 100993061
methyl (5S)-5-hydroxy-6-(4-methylphenyl)sulfinylhexanoate
CID 141448734
1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone
CID 12729207
1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene
CID 15250886
methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]sulfinylacetate
CID 19821986
ethyl 2-[4-(trifluoromethyl)phenyl]sulfinylacetate
CID 162600200
1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636296
1-(2,2-dimethoxyethylsulfinyl)-4-methylbenzene
CID 66220895

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate?
The IUPAC name of methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate (CID 10751029) is methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate.
What is the SMILES notation for methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate?
The canonical SMILES for methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate is COC(=O)C[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate?
The InChIKey is OYRGZVMTNKAJPR-CQSZACIVSA-N. The full InChI is InChI=1S/C10H12O3S/c1-8-3-5-9(6-4-8)14(12)7-10(11)13-2/h3-6H,7H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate?
methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate has a molecular weight of 212.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate is sourced from PubChem (CID 10751029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).