2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde

C10H11F2NOS — CID 143385078

IUPAC2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde
SMILESCC(C)SNc1ccc(F)c(C=O)c1F
InChIInChI=1S/C10H11F2NOS/c1-6(2)15-13-9-4-3-8(11)7(5-14)10(9)12/h3-6,13H,1-2H3
InChIKeyMSZJHJKFWJIQNY-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.25
Rot. Bonds4

About 2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde

2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde (PubChem CID 143385078) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is 2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde.

Molecular Properties

Compound Name2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde
PubChem CID143385078
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC Name2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde
SMILESCC(C)SNc1ccc(F)c(C=O)c1F
InChIInChI=1S/C10H11F2NOS/c1-6(2)15-13-9-4-3-8(11)7(5-14)10(9)12/h3-6,13H,1-2H3
InChIKeyMSZJHJKFWJIQNY-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-3-[(4-propan-2-ylcyclohexa-1,5-dien-1-yl)sulfanylamino]benzaldehyde
CID 126731671
N-(2,4-difluoro-3-formylphenyl)pentane-3-sulfonamide
CID 87087736
N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide
CID 53419003
2,6-difluoro-3-methylbenzaldehyde
CID 2774137
N-(2,4-difluoro-3-formylphenyl)-3,5-dimethylbenzenesulfinamide
CID 123333409
3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde
CID 142766285
2,6-difluoro-3-(4-methylphenyl)benzaldehyde
CID 164894314
3-[3-[(3Z,4Z)-6-amino-5-(aminomethyl)-3-(aminomethylidene)hepta-1,4-dienyl]-2,4-difluoroanilino]sulfanyl-2,5-dichlorobenzaldehyde
CID 138718323
2,6-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 131676836
3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde
CID 123976230
N-(4-bromo-2-fluoro-3-formylphenyl)acetamide
CID 88931176
2-[(1R)-1-aminoethyl]-6-fluorobenzaldehyde
CID 174983954

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde?
The IUPAC name of 2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde (CID 143385078) is 2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde.
What is the SMILES notation for 2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde?
The canonical SMILES for 2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde is CC(C)SNc1ccc(F)c(C=O)c1F.
What is the InChIKey of 2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde?
The InChIKey is MSZJHJKFWJIQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c1-6(2)15-13-9-4-3-8(11)7(5-14)10(9)12/h3-6,13H,1-2H3.
What are the key properties of 2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde?
2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde has a molecular weight of 231.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(propan-2-ylsulfanylamino)benzaldehyde is sourced from PubChem (CID 143385078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).