2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide

C14H12F2N2S — CID 62306994

IUPAC2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Sc1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2S/c1-8-2-4-10(14(17)18)13(6-8)19-12-5-3-9(15)7-11(12)16/h2-7H,1H3,(H3,17,18)
InChIKeyFWAGEIQKBUKSST-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.71
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide

2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide (PubChem CID 62306994) has the molecular formula C14H12F2N2S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
PubChem CID62306994
Molecular FormulaC14H12F2N2S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Sc1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2S/c1-8-2-4-10(14(17)18)13(6-8)19-12-5-3-9(15)7-11(12)16/h2-7H,1H3,(H3,17,18)
InChIKeyFWAGEIQKBUKSST-UHFFFAOYSA-N
XLogP3.71
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide (CID 62306994) is 2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1Sc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide?
The InChIKey is FWAGEIQKBUKSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2S/c1-8-2-4-10(14(17)18)13(6-8)19-12-5-3-9(15)7-11(12)16/h2-7H,1H3,(H3,17,18).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide?
2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide has a molecular weight of 278.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62306994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).