2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide

C9H10ClNOS — CID 173431236

IUPAC2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide
SMILESCc1ccc(C(S)C(N)=O)cc1Cl
InChIInChI=1S/C9H10ClNOS/c1-5-2-3-6(4-7(5)10)8(13)9(11)12/h2-4,8,13H,1H3,(H2,11,12)
InChIKeyMVYQIGIJAOPNNR-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.10
Rot. Bonds2

About 2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide

2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide (PubChem CID 173431236) has the molecular formula C9H10ClNOS and a molecular weight of 215.71 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide
PubChem CID173431236
Molecular FormulaC9H10ClNOS
Molecular Weight215.71 g/mol
Exact Mass215.02
IUPAC Name2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide
SMILESCc1ccc(C(S)C(N)=O)cc1Cl
InChIInChI=1S/C9H10ClNOS/c1-5-2-3-6(4-7(5)10)8(13)9(11)12/h2-4,8,13H,1H3,(H2,11,12)
InChIKeyMVYQIGIJAOPNNR-UHFFFAOYSA-N
XLogP2.10
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-methylphenyl)-2-sulfanylacetic acid
CID 172693927
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 106817617
2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 106817620
methyl 3-(3-chloro-4-methylphenyl)-2,3-dihydroxypropanoate
CID 171863615
methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
CID 106818489
2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide
CID 106818464
2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid
CID 106819374
3-chloro-4-methylbenzamide;ethane
CID 162191867
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
CID 103946952
ethyl 2-(3,4-dimethylphenyl)-2-sulfanylacetate
CID 57237748
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide (CID 173431236) is 2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide is Cc1ccc(C(S)C(N)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide?
The InChIKey is MVYQIGIJAOPNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c1-5-2-3-6(4-7(5)10)8(13)9(11)12/h2-4,8,13H,1H3,(H2,11,12).
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide?
2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide has a molecular weight of 215.71 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide is sourced from PubChem (CID 173431236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).