2,6-difluoro-3-methylsulfanylbenzenecarboximidamide

C8H8F2N2S — CID 57019287

IUPAC2,6-difluoro-3-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)ccc(SC)c1F
InChIInChI=1S/C8H8F2N2S/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H3,11,12)
InChIKeyVYIOKDGAVPKBOF-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.97
Rot. Bonds2

About 2,6-difluoro-3-methylsulfanylbenzenecarboximidamide

2,6-difluoro-3-methylsulfanylbenzenecarboximidamide (PubChem CID 57019287) has the molecular formula C8H8F2N2S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2,6-difluoro-3-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2,6-difluoro-3-methylsulfanylbenzenecarboximidamide
PubChem CID57019287
Molecular FormulaC8H8F2N2S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2,6-difluoro-3-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)ccc(SC)c1F
InChIInChI=1S/C8H8F2N2S/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H3,11,12)
InChIKeyVYIOKDGAVPKBOF-UHFFFAOYSA-N
XLogP1.97
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.97
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'}

Analyze 2,6-difluoro-3-methylsulfanylbenzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2,6-difluoro-3-methylsulfanylbenzenecarboximidamide (CID 57019287) is 2,6-difluoro-3-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2,6-difluoro-3-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2,6-difluoro-3-methylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(F)ccc(SC)c1F.
What is the InChIKey of 2,6-difluoro-3-methylsulfanylbenzenecarboximidamide?
The InChIKey is VYIOKDGAVPKBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2S/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H3,11,12).
What are the key properties of 2,6-difluoro-3-methylsulfanylbenzenecarboximidamide?
2,6-difluoro-3-methylsulfanylbenzenecarboximidamide has a molecular weight of 202.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 57019287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).