2-(3-chloro-5-ethylsulfanylphenyl)acetic acid

C10H11ClO2S — CID 91875906

IUPAC2-(3-chloro-5-ethylsulfanylphenyl)acetic acid
SMILESCCSc1cc(Cl)cc(CC(=O)O)c1
InChIInChI=1S/C10H11ClO2S/c1-2-14-9-4-7(5-10(12)13)3-8(11)6-9/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyWJGFAJWINHOLEW-UHFFFAOYSA-N
MW230.72 g/mol
LogP3.08
Rot. Bonds4

About 2-(3-chloro-5-ethylsulfanylphenyl)acetic acid

2-(3-chloro-5-ethylsulfanylphenyl)acetic acid (PubChem CID 91875906) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 2-(3-chloro-5-ethylsulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-5-ethylsulfanylphenyl)acetic acid
PubChem CID91875906
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name2-(3-chloro-5-ethylsulfanylphenyl)acetic acid
SMILESCCSc1cc(Cl)cc(CC(=O)O)c1
InChIInChI=1S/C10H11ClO2S/c1-2-14-9-4-7(5-10(12)13)3-8(11)6-9/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyWJGFAJWINHOLEW-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-5-ethylsulfanylphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-5-methylsulfonylphenyl)acetic acid
CID 84706693
6-chloro-3-[(3-chloro-5-ethylsulfanylphenyl)methylsulfonylmethyl]-1H-pyridin-2-one
CID 161053890
2-(4-chloro-2,6-diethylphenyl)acetic acid
CID 66707717
2-[3-chloro-5-(dimethylcarbamothioyloxy)phenyl]acetic acid
CID 87725007
3-(3,5-dichlorophenyl)-2-oxopropanoic acid
CID 60790009
1-(3,5-dichlorophenyl)sulfanylpentan-2-one
CID 165440950
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293
2-(3,5-diamino-4-chlorophenyl)acetic acid
CID 70542529
2-[4-(3,5-dichlorophenyl)phenyl]acetic acid
CID 2758083
2-[4-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]acetic acid
CID 20989536
methyl 3-ethyl-5-ethylsulfanylbenzoate
CID 91876272
2-(5-ethylsulfanyl-2-pyridinyl)acetic acid
CID 145231908

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-ethylsulfanylphenyl)acetic acid?
The IUPAC name of 2-(3-chloro-5-ethylsulfanylphenyl)acetic acid (CID 91875906) is 2-(3-chloro-5-ethylsulfanylphenyl)acetic acid.
What is the SMILES notation for 2-(3-chloro-5-ethylsulfanylphenyl)acetic acid?
The canonical SMILES for 2-(3-chloro-5-ethylsulfanylphenyl)acetic acid is CCSc1cc(Cl)cc(CC(=O)O)c1.
What is the InChIKey of 2-(3-chloro-5-ethylsulfanylphenyl)acetic acid?
The InChIKey is WJGFAJWINHOLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c1-2-14-9-4-7(5-10(12)13)3-8(11)6-9/h3-4,6H,2,5H2,1H3,(H,12,13).
What are the key properties of 2-(3-chloro-5-ethylsulfanylphenyl)acetic acid?
2-(3-chloro-5-ethylsulfanylphenyl)acetic acid has a molecular weight of 230.72 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-ethylsulfanylphenyl)acetic acid is sourced from PubChem (CID 91875906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).