2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide

C11H13Cl2NOS — CID 900355

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NOS/c1-14(2)11(15)7-16-6-8-9(12)4-3-5-10(8)13/h3-5H,6-7H2,1-2H3
InChIKeyXDXRTCWAJFAFQS-UHFFFAOYSA-N
MW278.20 g/mol
LogP3.31
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide (PubChem CID 900355) has the molecular formula C11H13Cl2NOS and a molecular weight of 278.20 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide
PubChem CID900355
Molecular FormulaC11H13Cl2NOS
Molecular Weight278.20 g/mol
Exact Mass277.01
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NOS/c1-14(2)11(15)7-16-6-8-9(12)4-3-5-10(8)13/h3-5H,6-7H2,1-2H3
InChIKeyXDXRTCWAJFAFQS-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide (CID 900355) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide is CN(C)C(=O)CSCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide?
The InChIKey is XDXRTCWAJFAFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOS/c1-14(2)11(15)7-16-6-8-9(12)4-3-5-10(8)13/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide has a molecular weight of 278.20 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 900355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).