2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide

C10H13FN2S — CID 143894496

IUPAC2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)Sc1ccc(F)cc1
InChIInChI=1S/C10H13FN2S/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H3,12,13)
InChIKeyOXQFIUXLUCJRGP-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.63
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide

2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide (PubChem CID 143894496) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide
PubChem CID143894496
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)Sc1ccc(F)cc1
InChIInChI=1S/C10H13FN2S/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H3,12,13)
InChIKeyOXQFIUXLUCJRGP-UHFFFAOYSA-N
XLogP2.63
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.63
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

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2-Phenylsulfanylethanimidamide
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4-(4-Fluorophenyl)sulfanylbutanimidamide
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4-(4-Fluorophenyl)sulfinylbutanimidamide
CID 20314615
2-(2-Fluorophenyl)sulfanylethanimidamide
CID 28404306
4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide
CID 54228806
3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide
CID 54378119
2-[(4-fluorophenyl)-dihydroxy-lambda4-sulfanyl]-N'-hydroxy-2-methylpropanimidamide
CID 58057084
2-(2-Fluorophenyl)sulfanylpropanimidamide
CID 61691738
(4-Fluorophenyl) carbamimidothioate
CID 64048320
2-(4-Fluorophenyl)sulfonyl-2-methylpropanimidamide
CID 68054047

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide (CID 143894496) is 2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide is [H]/N=C(\N)C(C)(C)Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide?
The InChIKey is OXQFIUXLUCJRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H3,12,13).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide?
2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide has a molecular weight of 212.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-2-methylpropanimidamide is sourced from PubChem (CID 143894496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).