2-(2-amino-6-chlorophenyl)sulfanylacetic acid

C8H8ClNO2S — CID 61318232

IUPAC2-(2-amino-6-chlorophenyl)sulfanylacetic acid
SMILESNc1cccc(Cl)c1SCC(=O)O
InChIInChI=1S/C8H8ClNO2S/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4,10H2,(H,11,12)
InChIKeyOAWFHDDEZYJEEB-UHFFFAOYSA-N
MW217.68 g/mol
LogP2.10
Rot. Bonds3

About 2-(2-amino-6-chlorophenyl)sulfanylacetic acid

2-(2-amino-6-chlorophenyl)sulfanylacetic acid (PubChem CID 61318232) has the molecular formula C8H8ClNO2S and a molecular weight of 217.68 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfanylacetic acid
PubChem CID61318232
Molecular FormulaC8H8ClNO2S
Molecular Weight217.68 g/mol
Exact Mass217.00
IUPAC Name2-(2-amino-6-chlorophenyl)sulfanylacetic acid
SMILESNc1cccc(Cl)c1SCC(=O)O
InChIInChI=1S/C8H8ClNO2S/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4,10H2,(H,11,12)
InChIKeyOAWFHDDEZYJEEB-UHFFFAOYSA-N
XLogP2.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-6-chlorophenyl)sulfanylbut-2-enoic acid
CID 76940801
2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 43304981
4-[[2-(2-amino-6-chlorophenyl)sulfanylacetyl]amino]butanoic acid
CID 43304528
2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide
CID 43304833
2-(2-bromoprop-2-enylsulfanyl)-3-chloroaniline
CID 60872440
4-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzoic acid
CID 61318430
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43304736
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 43304961
3-[(2-amino-6-chlorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 61318634
2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide
CID 43304756
3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide
CID 64558643

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanylacetic acid?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanylacetic acid (CID 61318232) is 2-(2-amino-6-chlorophenyl)sulfanylacetic acid.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfanylacetic acid?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfanylacetic acid is Nc1cccc(Cl)c1SCC(=O)O.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfanylacetic acid?
The InChIKey is OAWFHDDEZYJEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2S/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4,10H2,(H,11,12).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfanylacetic acid?
2-(2-amino-6-chlorophenyl)sulfanylacetic acid has a molecular weight of 217.68 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfanylacetic acid is sourced from PubChem (CID 61318232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).