methyl thiohypochlorite;2-phenoxyacetamide

C9H12ClNO2S — CID 143004120

IUPACmethyl thiohypochlorite;2-phenoxyacetamide
SMILESCSCl.NC(=O)COc1ccccc1
InChIInChI=1S/C8H9NO2.CH3ClS/c9-8(10)6-11-7-4-2-1-3-5-7;1-3-2/h1-5H,6H2,(H2,9,10);1H3
InChIKeyTXJBHFLYCMYMSN-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.05
Rot. Bonds3

About methyl thiohypochlorite;2-phenoxyacetamide

methyl thiohypochlorite;2-phenoxyacetamide (PubChem CID 143004120) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is methyl thiohypochlorite;2-phenoxyacetamide.

Molecular Properties

Compound Namemethyl thiohypochlorite;2-phenoxyacetamide
PubChem CID143004120
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Namemethyl thiohypochlorite;2-phenoxyacetamide
SMILESCSCl.NC(=O)COc1ccccc1
InChIInChI=1S/C8H9NO2.CH3ClS/c9-8(10)6-11-7-4-2-1-3-5-7;1-3-2/h1-5H,6H2,(H2,9,10);1H3
InChIKeyTXJBHFLYCMYMSN-UHFFFAOYSA-N
XLogP2.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;hydride;2-phenoxyacetamide
CID 175513799
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate
CID 75384450
chloromethane;2-phenoxyacetic acid
CID 157255542
2-(4-phenoxybutoxy)acetamide
CID 122703944
2-(4-butoxyphenoxy)acetamide
CID 22974475
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
2-(7-phenoxyheptoxy)acetamide
CID 153330522
ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide
CID 142386396
S-[carbamoyl(chloro)amino] 2-phenoxyethanethioate
CID 141273115
2-phenoxyacetic acid;titanium
CID 174896747
CID 88969762
CID 88969762

Frequently Asked Questions

What is the IUPAC name of methyl thiohypochlorite;2-phenoxyacetamide?
The IUPAC name of methyl thiohypochlorite;2-phenoxyacetamide (CID 143004120) is methyl thiohypochlorite;2-phenoxyacetamide.
What is the SMILES notation for methyl thiohypochlorite;2-phenoxyacetamide?
The canonical SMILES for methyl thiohypochlorite;2-phenoxyacetamide is CSCl.NC(=O)COc1ccccc1.
What is the InChIKey of methyl thiohypochlorite;2-phenoxyacetamide?
The InChIKey is TXJBHFLYCMYMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.CH3ClS/c9-8(10)6-11-7-4-2-1-3-5-7;1-3-2/h1-5H,6H2,(H2,9,10);1H3.
What are the key properties of methyl thiohypochlorite;2-phenoxyacetamide?
methyl thiohypochlorite;2-phenoxyacetamide has a molecular weight of 233.72 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl thiohypochlorite;2-phenoxyacetamide is sourced from PubChem (CID 143004120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).