2-(3-bromo-2-ethylsulfanylphenyl)acetic acid

C10H11BrO2S — CID 91880396

IUPAC2-(3-bromo-2-ethylsulfanylphenyl)acetic acid
SMILESCCSc1c(Br)cccc1CC(=O)O
InChIInChI=1S/C10H11BrO2S/c1-2-14-10-7(6-9(12)13)4-3-5-8(10)11/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyODNDRGSAMWNSSJ-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.19
Rot. Bonds4

About 2-(3-bromo-2-ethylsulfanylphenyl)acetic acid

2-(3-bromo-2-ethylsulfanylphenyl)acetic acid (PubChem CID 91880396) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is 2-(3-bromo-2-ethylsulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-2-ethylsulfanylphenyl)acetic acid
PubChem CID91880396
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name2-(3-bromo-2-ethylsulfanylphenyl)acetic acid
SMILESCCSc1c(Br)cccc1CC(=O)O
InChIInChI=1S/C10H11BrO2S/c1-2-14-10-7(6-9(12)13)4-3-5-8(10)11/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyODNDRGSAMWNSSJ-UHFFFAOYSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
2-(3-bromo-2-sulfanylphenyl)acetic acid
CID 91874099
4-bromo-3-ethylsulfanylpyridine-2-carboxylic acid
CID 151472066
2-(2-bromo-6-methylphenyl)acetic acid
CID 84736031
2-(2-propan-2-ylsulfanylphenyl)acetic acid
CID 12533893
2-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)acetic acid
CID 118477189
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
2-(2-ethylphenyl)acetic acid;hydrate;hydrochloride
CID 67720112
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
CID 172781001
CID 172781001
CID 172781038
CID 172781038

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-ethylsulfanylphenyl)acetic acid?
The IUPAC name of 2-(3-bromo-2-ethylsulfanylphenyl)acetic acid (CID 91880396) is 2-(3-bromo-2-ethylsulfanylphenyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-2-ethylsulfanylphenyl)acetic acid?
The canonical SMILES for 2-(3-bromo-2-ethylsulfanylphenyl)acetic acid is CCSc1c(Br)cccc1CC(=O)O.
What is the InChIKey of 2-(3-bromo-2-ethylsulfanylphenyl)acetic acid?
The InChIKey is ODNDRGSAMWNSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c1-2-14-10-7(6-9(12)13)4-3-5-8(10)11/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of 2-(3-bromo-2-ethylsulfanylphenyl)acetic acid?
2-(3-bromo-2-ethylsulfanylphenyl)acetic acid has a molecular weight of 275.17 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-ethylsulfanylphenyl)acetic acid is sourced from PubChem (CID 91880396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).