2-(2,6-dichloroanilino)-2-sulfanylideneacetamide

C8H6Cl2N2OS — CID 98040700

IUPAC2-(2,6-dichloroanilino)-2-sulfanylideneacetamide
SMILESNC(=O)C(=S)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C8H6Cl2N2OS/c9-4-2-1-3-5(10)6(4)12-8(14)7(11)13/h1-3H,(H2,11,13)(H,12,14)
InChIKeySUWDWHLUGHIITN-UHFFFAOYSA-N
MW249.12 g/mol
LogP2.22
Rot. Bonds1

About 2-(2,6-dichloroanilino)-2-sulfanylideneacetamide

2-(2,6-dichloroanilino)-2-sulfanylideneacetamide (PubChem CID 98040700) has the molecular formula C8H6Cl2N2OS and a molecular weight of 249.12 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-2-sulfanylideneacetamide
PubChem CID98040700
Molecular FormulaC8H6Cl2N2OS
Molecular Weight249.12 g/mol
Exact Mass247.96
IUPAC Name2-(2,6-dichloroanilino)-2-sulfanylideneacetamide
SMILESNC(=O)C(=S)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C8H6Cl2N2OS/c9-4-2-1-3-5(10)6(4)12-8(14)7(11)13/h1-3H,(H2,11,13)(H,12,14)
InChIKeySUWDWHLUGHIITN-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-2-sulfanylideneacetamide?
The IUPAC name of 2-(2,6-dichloroanilino)-2-sulfanylideneacetamide (CID 98040700) is 2-(2,6-dichloroanilino)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-2-sulfanylideneacetamide is NC(=O)C(=S)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichloroanilino)-2-sulfanylideneacetamide?
The InChIKey is SUWDWHLUGHIITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2OS/c9-4-2-1-3-5(10)6(4)12-8(14)7(11)13/h1-3H,(H2,11,13)(H,12,14).
What are the key properties of 2-(2,6-dichloroanilino)-2-sulfanylideneacetamide?
2-(2,6-dichloroanilino)-2-sulfanylideneacetamide has a molecular weight of 249.12 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-2-sulfanylideneacetamide is sourced from PubChem (CID 98040700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).