3-(2,4-difluorophenyl)sulfanylpropanimidamide

C9H10F2N2S — CID 43345486

IUPAC3-(2,4-difluorophenyl)sulfanylpropanimidamide
SMILES[H]/N=C(\N)CCSc1ccc(F)cc1F
InChIInChI=1S/C9H10F2N2S/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H3,12,13)
InChIKeyCHOBINLDIGCRTG-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.38
Rot. Bonds4

About 3-(2,4-difluorophenyl)sulfanylpropanimidamide

3-(2,4-difluorophenyl)sulfanylpropanimidamide (PubChem CID 43345486) has the molecular formula C9H10F2N2S and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfanylpropanimidamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfanylpropanimidamide
PubChem CID43345486
Molecular FormulaC9H10F2N2S
Molecular Weight216.26 g/mol
Exact Mass216.05
IUPAC Name3-(2,4-difluorophenyl)sulfanylpropanimidamide
SMILES[H]/N=C(\N)CCSc1ccc(F)cc1F
InChIInChI=1S/C9H10F2N2S/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H3,12,13)
InChIKeyCHOBINLDIGCRTG-UHFFFAOYSA-N
XLogP2.38
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide
CID 109374829
5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide
CID 63667150
3-(2,5-difluorophenoxy)propanimidamide
CID 63269341
4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062416
3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47152940
5-(2,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615173
3-(2,4-difluorophenoxy)butanimidamide
CID 114995388
1-(6-chlorohexylsulfanyl)-2,4-difluorobenzene
CID 63500217
4-(2,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64821724
2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522536
4-(2,4-difluorophenyl)sulfanyl-2,2-dimethylbutanoic acid
CID 65253692

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfanylpropanimidamide?
The IUPAC name of 3-(2,4-difluorophenyl)sulfanylpropanimidamide (CID 43345486) is 3-(2,4-difluorophenyl)sulfanylpropanimidamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfanylpropanimidamide?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfanylpropanimidamide is [H]/N=C(\N)CCSc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfanylpropanimidamide?
The InChIKey is CHOBINLDIGCRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2S/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H3,12,13).
What are the key properties of 3-(2,4-difluorophenyl)sulfanylpropanimidamide?
3-(2,4-difluorophenyl)sulfanylpropanimidamide has a molecular weight of 216.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfanylpropanimidamide is sourced from PubChem (CID 43345486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).