methyl N'-(4-fluorophenyl)sulfanylcarbamimidate

C8H9FN2OS — CID 174953228

IUPACmethyl N'-(4-fluorophenyl)sulfanylcarbamimidate
SMILESCOC(N)=NSc1ccc(F)cc1
InChIInChI=1S/C8H9FN2OS/c1-12-8(10)11-13-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11)
InChIKeyKFIWPPNOMLZUAR-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.79
Rot. Bonds2

About methyl N'-(4-fluorophenyl)sulfanylcarbamimidate

methyl N'-(4-fluorophenyl)sulfanylcarbamimidate (PubChem CID 174953228) has the molecular formula C8H9FN2OS and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl N'-(4-fluorophenyl)sulfanylcarbamimidate.

Molecular Properties

Compound Namemethyl N'-(4-fluorophenyl)sulfanylcarbamimidate
PubChem CID174953228
Molecular FormulaC8H9FN2OS
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Namemethyl N'-(4-fluorophenyl)sulfanylcarbamimidate
SMILESCOC(N)=NSc1ccc(F)cc1
InChIInChI=1S/C8H9FN2OS/c1-12-8(10)11-13-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11)
InChIKeyKFIWPPNOMLZUAR-UHFFFAOYSA-N
XLogP1.79
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N'-(4-fluorophenyl)sulfanylcarbamimidate?
The IUPAC name of methyl N'-(4-fluorophenyl)sulfanylcarbamimidate (CID 174953228) is methyl N'-(4-fluorophenyl)sulfanylcarbamimidate.
What is the SMILES notation for methyl N'-(4-fluorophenyl)sulfanylcarbamimidate?
The canonical SMILES for methyl N'-(4-fluorophenyl)sulfanylcarbamimidate is COC(N)=NSc1ccc(F)cc1.
What is the InChIKey of methyl N'-(4-fluorophenyl)sulfanylcarbamimidate?
The InChIKey is KFIWPPNOMLZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2OS/c1-12-8(10)11-13-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11).
What are the key properties of methyl N'-(4-fluorophenyl)sulfanylcarbamimidate?
methyl N'-(4-fluorophenyl)sulfanylcarbamimidate has a molecular weight of 200.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(4-fluorophenyl)sulfanylcarbamimidate is sourced from PubChem (CID 174953228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).