N-(3,4-dichlorophenyl)-2-sulfanylacetamide

C8H7Cl2NOS — CID 715360

IUPACN-(3,4-dichlorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NOS/c9-6-2-1-5(3-7(6)10)11-8(12)4-13/h1-3,13H,4H2,(H,11,12)
InChIKeyOXXGBQLQQBKIJO-UHFFFAOYSA-N
MW236.12 g/mol
LogP2.86
Rot. Bonds2

About N-(3,4-dichlorophenyl)-2-sulfanylacetamide

N-(3,4-dichlorophenyl)-2-sulfanylacetamide (PubChem CID 715360) has the molecular formula C8H7Cl2NOS and a molecular weight of 236.12 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-sulfanylacetamide
PubChem CID715360
Molecular FormulaC8H7Cl2NOS
Molecular Weight236.12 g/mol
Exact Mass234.96
IUPAC NameN-(3,4-dichlorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NOS/c9-6-2-1-5(3-7(6)10)11-8(12)4-13/h1-3,13H,4H2,(H,11,12)
InChIKeyOXXGBQLQQBKIJO-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 52.86
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

Propanil
CID 4933
Cypromid
CID 17693
Urea, (3,4-dichlorophenyl)-
CID 16854
N-(4-Chlorophenyl)acetamide
CID 10871
N-(3-Chlorophenyl)acetamide
CID 11493
3,4-Dichloroacetanilide
CID 16530
Chloranocryl
CID 16560
3-Decoxypropanenitrile
CID 99466
2,4'-Dichloroacetanilide
CID 94920
2-chloro-N-(3-chlorophenyl)acetamide
CID 137639
2-chloro-N-(3,4-dichlorophenyl)acetamide
CID 234744
N-(2,4,5-Trichlorophenyl)acetamide
CID 90217

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-sulfanylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-sulfanylacetamide (CID 715360) is N-(3,4-dichlorophenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-sulfanylacetamide is O=C(CS)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-sulfanylacetamide?
The InChIKey is OXXGBQLQQBKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NOS/c9-6-2-1-5(3-7(6)10)11-8(12)4-13/h1-3,13H,4H2,(H,11,12).
What are the key properties of N-(3,4-dichlorophenyl)-2-sulfanylacetamide?
N-(3,4-dichlorophenyl)-2-sulfanylacetamide has a molecular weight of 236.12 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 715360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).