(2-fluorophenyl) (1E)-N-aminomethanimidothioate

C7H7FN2S — CID 176900648

IUPAC(2-fluorophenyl) (1E)-N-aminomethanimidothioate
SMILESN/N=C/Sc1ccccc1F
InChIInChI=1S/C7H7FN2S/c8-6-3-1-2-4-7(6)11-5-10-9/h1-5H,9H2/b10-5+
InChIKeyMNCFSAIPBWHCHI-BJMVGYQFSA-N
MW170.21 g/mol
LogP1.82
Rot. Bonds2

About (2-fluorophenyl) (1E)-N-aminomethanimidothioate

(2-fluorophenyl) (1E)-N-aminomethanimidothioate (PubChem CID 176900648) has the molecular formula C7H7FN2S and a molecular weight of 170.21 g/mol. Its IUPAC name is (2-fluorophenyl) (1E)-N-aminomethanimidothioate.

Molecular Properties

Compound Name(2-fluorophenyl) (1E)-N-aminomethanimidothioate
PubChem CID176900648
Molecular FormulaC7H7FN2S
Molecular Weight170.21 g/mol
Exact Mass170.03
IUPAC Name(2-fluorophenyl) (1E)-N-aminomethanimidothioate
SMILESN/N=C/Sc1ccccc1F
InChIInChI=1S/C7H7FN2S/c8-6-3-1-2-4-7(6)11-5-10-9/h1-5H,9H2/b10-5+
InChIKeyMNCFSAIPBWHCHI-BJMVGYQFSA-N
XLogP1.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) (1E)-N-aminomethanimidothioate?
The IUPAC name of (2-fluorophenyl) (1E)-N-aminomethanimidothioate (CID 176900648) is (2-fluorophenyl) (1E)-N-aminomethanimidothioate.
What is the SMILES notation for (2-fluorophenyl) (1E)-N-aminomethanimidothioate?
The canonical SMILES for (2-fluorophenyl) (1E)-N-aminomethanimidothioate is N/N=C/Sc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) (1E)-N-aminomethanimidothioate?
The InChIKey is MNCFSAIPBWHCHI-BJMVGYQFSA-N. The full InChI is InChI=1S/C7H7FN2S/c8-6-3-1-2-4-7(6)11-5-10-9/h1-5H,9H2/b10-5+.
What are the key properties of (2-fluorophenyl) (1E)-N-aminomethanimidothioate?
(2-fluorophenyl) (1E)-N-aminomethanimidothioate has a molecular weight of 170.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) (1E)-N-aminomethanimidothioate is sourced from PubChem (CID 176900648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).