(2R)-2-amino-2-(4-fluorophenyl)ethanethioamide

C8H9FN2S — CID 95241231

IUPAC(2R)-2-amino-2-(4-fluorophenyl)ethanethioamide
SMILESNC(=S)[C@H](N)c1ccc(F)cc1
InChIInChI=1S/C8H9FN2S/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H2,11,12)/t7-/m1/s1
InChIKeyOHWCJIJJVJFKEU-SSDOTTSWSA-N
MW184.24 g/mol
LogP1.11
Rot. Bonds2

About (2R)-2-amino-2-(4-fluorophenyl)ethanethioamide

(2R)-2-amino-2-(4-fluorophenyl)ethanethioamide (PubChem CID 95241231) has the molecular formula C8H9FN2S and a molecular weight of 184.24 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-fluorophenyl)ethanethioamide.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-fluorophenyl)ethanethioamide
PubChem CID95241231
Molecular FormulaC8H9FN2S
Molecular Weight184.24 g/mol
Exact Mass184.05
IUPAC Name(2R)-2-amino-2-(4-fluorophenyl)ethanethioamide
SMILESNC(=S)[C@H](N)c1ccc(F)cc1
InChIInChI=1S/C8H9FN2S/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H2,11,12)/t7-/m1/s1
InChIKeyOHWCJIJJVJFKEU-SSDOTTSWSA-N
XLogP1.11
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-fluorophenyl)ethanethioamide?
The IUPAC name of (2R)-2-amino-2-(4-fluorophenyl)ethanethioamide (CID 95241231) is (2R)-2-amino-2-(4-fluorophenyl)ethanethioamide.
What is the SMILES notation for (2R)-2-amino-2-(4-fluorophenyl)ethanethioamide?
The canonical SMILES for (2R)-2-amino-2-(4-fluorophenyl)ethanethioamide is NC(=S)[C@H](N)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-amino-2-(4-fluorophenyl)ethanethioamide?
The InChIKey is OHWCJIJJVJFKEU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9FN2S/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H2,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-fluorophenyl)ethanethioamide?
(2R)-2-amino-2-(4-fluorophenyl)ethanethioamide has a molecular weight of 184.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-fluorophenyl)ethanethioamide is sourced from PubChem (CID 95241231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).