ethyl 2-(2-bromophenyl)sulfanylacetate

C10H11BrO2S — CID 10754843

IUPACethyl 2-(2-bromophenyl)sulfanylacetate
SMILESCCOC(=O)CSc1ccccc1Br
InChIInChI=1S/C10H11BrO2S/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3
InChIKeyWSJYHZHJLKQVIY-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.10
Rot. Bonds4

About ethyl 2-(2-bromophenyl)sulfanylacetate

ethyl 2-(2-bromophenyl)sulfanylacetate (PubChem CID 10754843) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is ethyl 2-(2-bromophenyl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(2-bromophenyl)sulfanylacetate
PubChem CID10754843
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Nameethyl 2-(2-bromophenyl)sulfanylacetate
SMILESCCOC(=O)CSc1ccccc1Br
InChIInChI=1S/C10H11BrO2S/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3
InChIKeyWSJYHZHJLKQVIY-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromophenyl)sulfanylacetate?
The IUPAC name of ethyl 2-(2-bromophenyl)sulfanylacetate (CID 10754843) is ethyl 2-(2-bromophenyl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(2-bromophenyl)sulfanylacetate?
The canonical SMILES for ethyl 2-(2-bromophenyl)sulfanylacetate is CCOC(=O)CSc1ccccc1Br.
What is the InChIKey of ethyl 2-(2-bromophenyl)sulfanylacetate?
The InChIKey is WSJYHZHJLKQVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(2-bromophenyl)sulfanylacetate?
ethyl 2-(2-bromophenyl)sulfanylacetate has a molecular weight of 275.17 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromophenyl)sulfanylacetate is sourced from PubChem (CID 10754843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).