2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide

C9H11FN2S — CID 143388120

IUPAC2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(SC)cc1F
InChIInChI=1S/C9H11FN2S/c1-12-9(11)7-4-3-6(13-2)5-8(7)10/h3-5H,1-2H3,(H2,11,12)
InChIKeyBAGSDPJDZYULKS-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.88
Rot. Bonds2

About 2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide

2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide (PubChem CID 143388120) has the molecular formula C9H11FN2S and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide
PubChem CID143388120
Molecular FormulaC9H11FN2S
Molecular Weight198.27 g/mol
Exact Mass198.06
IUPAC Name2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(SC)cc1F
InChIInChI=1S/C9H11FN2S/c1-12-9(11)7-4-3-6(13-2)5-8(7)10/h3-5H,1-2H3,(H2,11,12)
InChIKeyBAGSDPJDZYULKS-UHFFFAOYSA-N
XLogP1.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
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-fluoro-N'-methyl-4-nitrobenzenecarboximidamide
CID 142761632
2-(2-fluoro-4-methylsulfanylphenyl)-2-oxoacetic acid
CID 117305144
N'-methyl-2-(4-methylsulfanylphenyl)benzenecarboximidamide
CID 18771509
2-amino-5-(3,5-difluorophenyl)sulfanyl-N'-methylbenzenecarboximidamide
CID 144891541
2-fluoro-1-methyl-4-methylsulfanylbenzene
CID 53414492
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene
CID 139623422
N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide
CID 86594416
2-fluoro-4-(4-methylsulfanylphenyl)benzoic acid
CID 53226428
2-methyl-1-(4-methylsulfanylphenyl)guanidine
CID 62380340
N'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 61361560
2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide
CID 145192796

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide (CID 143388120) is 2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide is C/N=C(\N)c1ccc(SC)cc1F.
What is the InChIKey of 2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide?
The InChIKey is BAGSDPJDZYULKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2S/c1-12-9(11)7-4-3-6(13-2)5-8(7)10/h3-5H,1-2H3,(H2,11,12).
What are the key properties of 2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide?
2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide has a molecular weight of 198.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-methyl-4-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 143388120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).