methyl 2-(4-methylphenyl)sulfanylacetate

C10H12O2S — CID 11769429

IUPACmethyl 2-(4-methylphenyl)sulfanylacetate
SMILESCOC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C10H12O2S/c1-8-3-5-9(6-4-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3
InChIKeyOSVDMYOJMLBTIH-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.26
Rot. Bonds3

About methyl 2-(4-methylphenyl)sulfanylacetate

methyl 2-(4-methylphenyl)sulfanylacetate (PubChem CID 11769429) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is methyl 2-(4-methylphenyl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(4-methylphenyl)sulfanylacetate
PubChem CID11769429
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Namemethyl 2-(4-methylphenyl)sulfanylacetate
SMILESCOC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C10H12O2S/c1-8-3-5-9(6-4-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3
InChIKeyOSVDMYOJMLBTIH-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylphenyl)sulfanylacetate?
The IUPAC name of methyl 2-(4-methylphenyl)sulfanylacetate (CID 11769429) is methyl 2-(4-methylphenyl)sulfanylacetate.
What is the SMILES notation for methyl 2-(4-methylphenyl)sulfanylacetate?
The canonical SMILES for methyl 2-(4-methylphenyl)sulfanylacetate is COC(=O)CSc1ccc(C)cc1.
What is the InChIKey of methyl 2-(4-methylphenyl)sulfanylacetate?
The InChIKey is OSVDMYOJMLBTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-8-3-5-9(6-4-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(4-methylphenyl)sulfanylacetate?
methyl 2-(4-methylphenyl)sulfanylacetate has a molecular weight of 196.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylphenyl)sulfanylacetate is sourced from PubChem (CID 11769429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).