2-(3-chlorosulfanylphenoxy)acetic acid

C8H7ClO3S — CID 19384692

IUPAC2-(3-chlorosulfanylphenoxy)acetic acid
SMILESO=C(O)COc1cccc(SCl)c1
InChIInChI=1S/C8H7ClO3S/c9-13-7-3-1-2-6(4-7)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyALDBCDLZBCLOMI-UHFFFAOYSA-N
MW218.66 g/mol
LogP2.40
Rot. Bonds4

About 2-(3-chlorosulfanylphenoxy)acetic acid

2-(3-chlorosulfanylphenoxy)acetic acid (PubChem CID 19384692) has the molecular formula C8H7ClO3S and a molecular weight of 218.66 g/mol. Its IUPAC name is 2-(3-chlorosulfanylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-chlorosulfanylphenoxy)acetic acid
PubChem CID19384692
Molecular FormulaC8H7ClO3S
Molecular Weight218.66 g/mol
Exact Mass217.98
IUPAC Name2-(3-chlorosulfanylphenoxy)acetic acid
SMILESO=C(O)COc1cccc(SCl)c1
InChIInChI=1S/C8H7ClO3S/c9-13-7-3-1-2-6(4-7)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyALDBCDLZBCLOMI-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(carboxymethylsulfanyl)phenoxy]acetic acid
CID 86229245
chloromethane;2-phenoxyacetic acid
CID 157255542
2-[3-(2-aminoacetyl)phenoxy]acetic acid
CID 70628823
2-phenoxyacetic acid;titanium
CID 174896747
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-(3-stibonophenoxy)acetic acid
CID 70690511
2-[3-(2-hydroxyethyl)phenoxy]acetic acid
CID 19830841
2-[3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]acetic acid
CID 63266368
methyl 2-[3-[[3-(2-methoxy-2-oxoethoxy)phenyl]disulfanyl]phenoxy]acetate
CID 171804931
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
naphthalene;2-phenoxyacetic acid
CID 175275275
2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid
CID 103499601

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorosulfanylphenoxy)acetic acid?
The IUPAC name of 2-(3-chlorosulfanylphenoxy)acetic acid (CID 19384692) is 2-(3-chlorosulfanylphenoxy)acetic acid.
What is the SMILES notation for 2-(3-chlorosulfanylphenoxy)acetic acid?
The canonical SMILES for 2-(3-chlorosulfanylphenoxy)acetic acid is O=C(O)COc1cccc(SCl)c1.
What is the InChIKey of 2-(3-chlorosulfanylphenoxy)acetic acid?
The InChIKey is ALDBCDLZBCLOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3S/c9-13-7-3-1-2-6(4-7)12-5-8(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(3-chlorosulfanylphenoxy)acetic acid?
2-(3-chlorosulfanylphenoxy)acetic acid has a molecular weight of 218.66 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorosulfanylphenoxy)acetic acid is sourced from PubChem (CID 19384692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).