(2-fluorophenyl) N-methylethanimidothioate

C9H10FNS — CID 153357217

IUPAC(2-fluorophenyl) N-methylethanimidothioate
SMILESC/N=C(\C)Sc1ccccc1F
InChIInChI=1S/C9H10FNS/c1-7(11-2)12-9-6-4-3-5-8(9)10/h3-6H,1-2H3/b11-7+
InChIKeyTUVXVDOUDOTJON-YRNVUSSQSA-N
MW183.25 g/mol
LogP2.97
Rot. Bonds1

About (2-fluorophenyl) N-methylethanimidothioate

(2-fluorophenyl) N-methylethanimidothioate (PubChem CID 153357217) has the molecular formula C9H10FNS and a molecular weight of 183.25 g/mol. Its IUPAC name is (2-fluorophenyl) N-methylethanimidothioate.

Molecular Properties

Compound Name(2-fluorophenyl) N-methylethanimidothioate
PubChem CID153357217
Molecular FormulaC9H10FNS
Molecular Weight183.25 g/mol
Exact Mass183.05
IUPAC Name(2-fluorophenyl) N-methylethanimidothioate
SMILESC/N=C(\C)Sc1ccccc1F
InChIInChI=1S/C9H10FNS/c1-7(11-2)12-9-6-4-3-5-8(9)10/h3-6H,1-2H3/b11-7+
InChIKeyTUVXVDOUDOTJON-YRNVUSSQSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) N-methylethanimidothioate?
The IUPAC name of (2-fluorophenyl) N-methylethanimidothioate (CID 153357217) is (2-fluorophenyl) N-methylethanimidothioate.
What is the SMILES notation for (2-fluorophenyl) N-methylethanimidothioate?
The canonical SMILES for (2-fluorophenyl) N-methylethanimidothioate is C/N=C(\C)Sc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) N-methylethanimidothioate?
The InChIKey is TUVXVDOUDOTJON-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10FNS/c1-7(11-2)12-9-6-4-3-5-8(9)10/h3-6H,1-2H3/b11-7+.
What are the key properties of (2-fluorophenyl) N-methylethanimidothioate?
(2-fluorophenyl) N-methylethanimidothioate has a molecular weight of 183.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) N-methylethanimidothioate is sourced from PubChem (CID 153357217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).