2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide

C9H9Cl2NOS — CID 893931

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NOS/c10-7-2-1-3-8(11)6(7)4-14-5-9(12)13/h1-3H,4-5H2,(H2,12,13)
InChIKeyJTNZOQSKSBVTCZ-UHFFFAOYSA-N
MW250.15 g/mol
LogP2.71
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide (PubChem CID 893931) has the molecular formula C9H9Cl2NOS and a molecular weight of 250.15 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
PubChem CID893931
Molecular FormulaC9H9Cl2NOS
Molecular Weight250.15 g/mol
Exact Mass248.98
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NOS/c10-7-2-1-3-8(11)6(7)4-14-5-9(12)13/h1-3H,4-5H2,(H2,12,13)
InChIKeyJTNZOQSKSBVTCZ-UHFFFAOYSA-N
XLogP2.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-Chlorobenzyl)thio]ethanamine
CID 234909
2-((Bis(3-chlorophenyl)methyl)thio)acetamide
CID 76314640
2-Aminoethylsulfanyl-[(2,4-dichlorophenyl)methylsulfanyl]methanone;hydrochloride
CID 162654566
2-[(2,4-Dichlorophenyl)methylsulfanyl]-3-methylbutanamide
CID 162663908
2-[(2,4-Dichlorophenyl)methylsulfanyl]-2-phenylacetamide
CID 162676582
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-methylacetamide
CID 848434
2-[(2,4-Dichlorobenzyl)thio]acetohydrazide
CID 1483486
N-(tert-butyl)-2-[(2,6-dichlorobenzyl)sulfanyl]acetamide
CID 848217
2-[(2,6-dichlorobenzyl)thio]-N-methylacetamide
CID 894324
2-[(2,6-dichlorobenzyl)sulfanyl]-N,N-dimethylacetamide
CID 900355
2-[(2,6-dichlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 2467184
2-(Bis(4-Chlorophenyl)Methylthio)Acetamide
CID 53324067

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide (CID 893931) is 2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide is NC(=O)CSCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
The InChIKey is JTNZOQSKSBVTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NOS/c10-7-2-1-3-8(11)6(7)4-14-5-9(12)13/h1-3H,4-5H2,(H2,12,13).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide has a molecular weight of 250.15 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 893931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).