2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide

C11H15FN2S — CID 79523193

IUPAC2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1SC(C)CC
InChIInChI=1S/C11H15FN2S/c1-3-7(2)15-9-6-4-5-8(12)10(9)11(13)14/h4-7H,3H2,1-2H3,(H3,13,14)
InChIKeyPIMLVRIDYGVQFI-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.00
Rot. Bonds4

About 2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide

2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide (PubChem CID 79523193) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide
PubChem CID79523193
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1SC(C)CC
InChIInChI=1S/C11H15FN2S/c1-3-7(2)15-9-6-4-5-8(12)10(9)11(13)14/h4-7H,3H2,1-2H3,(H3,13,14)
InChIKeyPIMLVRIDYGVQFI-UHFFFAOYSA-N
XLogP3.00
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.00
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-fluoro-6-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 79522863
2-butan-2-yloxy-6-fluorobenzenecarboximidamide
CID 43609351
2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 79522698
2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522375
3-(2-fluorophenyl)sulfanylbutanimidamide
CID 60912658
2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 79519709
2-cyclopentylsulfanyl-6-fluorobenzenecarboximidamide
CID 79522067
2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522536
3-bromo-4-butan-2-ylsulfanylbenzenecarboximidamide
CID 82799163
2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide
CID 79517932
2-ethylsulfanyl-6-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 113385931
2-fluoro-6-(oxolan-2-ylmethylsulfanyl)benzenecarboximidamide
CID 106494556

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide (CID 79523193) is 2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1SC(C)CC.
What is the InChIKey of 2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide?
The InChIKey is PIMLVRIDYGVQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c1-3-7(2)15-9-6-4-5-8(12)10(9)11(13)14/h4-7H,3H2,1-2H3,(H3,13,14).
What are the key properties of 2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide?
2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide has a molecular weight of 226.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 79523193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).