ethyl 2-(4-methoxyphenyl)sulfanylacetate

C11H14O3S — CID 1482371

IUPACethyl 2-(4-methoxyphenyl)sulfanylacetate
SMILESCCOC(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C11H14O3S/c1-3-14-11(12)8-15-10-6-4-9(13-2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyMFDBJTGAQFVAEB-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.35
Rot. Bonds5

About ethyl 2-(4-methoxyphenyl)sulfanylacetate

ethyl 2-(4-methoxyphenyl)sulfanylacetate (PubChem CID 1482371) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)sulfanylacetate
PubChem CID1482371
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Nameethyl 2-(4-methoxyphenyl)sulfanylacetate
SMILESCCOC(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C11H14O3S/c1-3-14-11(12)8-15-10-6-4-9(13-2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyMFDBJTGAQFVAEB-UHFFFAOYSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(aminomethyl)phenyl]sulfanylacetate
CID 63808556
propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate
CID 60704324
ethyl 2-(4-methoxybenzoyl)sulfanylacetate
CID 175225578
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550531
(4-methoxyphenyl)methyl 2-phenylsulfanylacetate
CID 533038
methyl (E)-3-[4-(2-ethoxy-2-oxoethyl)sulfanylphenyl]prop-2-enoate
CID 10564709
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548310
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548488
ethyl 2-[2-(4-methoxyphenyl)ethylsulfanyl]acetate
CID 78790188
ethyl 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanylacetate
CID 126389744
ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate
CID 170992735
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8547921

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)sulfanylacetate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)sulfanylacetate (CID 1482371) is ethyl 2-(4-methoxyphenyl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)sulfanylacetate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)sulfanylacetate is CCOC(=O)CSc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)sulfanylacetate?
The InChIKey is MFDBJTGAQFVAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-3-14-11(12)8-15-10-6-4-9(13-2)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)sulfanylacetate?
ethyl 2-(4-methoxyphenyl)sulfanylacetate has a molecular weight of 226.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)sulfanylacetate is sourced from PubChem (CID 1482371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).