methyl 2-(4-methylsulfanylphenyl)acetate

C10H12O2S — CID 12067662

IUPACmethyl 2-(4-methylsulfanylphenyl)acetate
SMILESCOC(=O)Cc1ccc(SC)cc1
InChIInChI=1S/C10H12O2S/c1-12-10(11)7-8-3-5-9(13-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyHGGUOMMWTVBBBH-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.12
Rot. Bonds3

About methyl 2-(4-methylsulfanylphenyl)acetate

methyl 2-(4-methylsulfanylphenyl)acetate (PubChem CID 12067662) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is methyl 2-(4-methylsulfanylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methylsulfanylphenyl)acetate
PubChem CID12067662
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Namemethyl 2-(4-methylsulfanylphenyl)acetate
SMILESCOC(=O)Cc1ccc(SC)cc1
InChIInChI=1S/C10H12O2S/c1-12-10(11)7-8-3-5-9(13-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyHGGUOMMWTVBBBH-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 2-(4-methylsulfanylphenyl)acetate
CID 144684310
methyl 2-(4-chlorosulfanylphenyl)acetate
CID 143520088
methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate
CID 91881338
methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
sodium 4-(2-methoxy-2-oxoethyl)phenolate
CID 70152543
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide
CID 110771193
CID 172801156
CID 172801156
methyl 2-[4-(tritiomethyl)phenyl]acetate
CID 140891676
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylsulfanylphenyl)acetate?
The IUPAC name of methyl 2-(4-methylsulfanylphenyl)acetate (CID 12067662) is methyl 2-(4-methylsulfanylphenyl)acetate.
What is the SMILES notation for methyl 2-(4-methylsulfanylphenyl)acetate?
The canonical SMILES for methyl 2-(4-methylsulfanylphenyl)acetate is COC(=O)Cc1ccc(SC)cc1.
What is the InChIKey of methyl 2-(4-methylsulfanylphenyl)acetate?
The InChIKey is HGGUOMMWTVBBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-12-10(11)7-8-3-5-9(13-2)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(4-methylsulfanylphenyl)acetate?
methyl 2-(4-methylsulfanylphenyl)acetate has a molecular weight of 196.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylsulfanylphenyl)acetate is sourced from PubChem (CID 12067662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).