N-cyano-1-methylsulfanylmethanimidoyl fluoride

C3H3FN2S — CID 89240109

IUPACN-cyano-1-methylsulfanylmethanimidoyl fluoride
SMILESCS/C(F)=N/C#N
InChIInChI=1S/C3H3FN2S/c1-7-3(4)6-2-5/h1H3/b6-3+
InChIKeyGAYJLNBZZBVMHL-ZZXKWVIFSA-N
MW118.14 g/mol
LogP1.16
Rot. Bonds

About N-cyano-1-methylsulfanylmethanimidoyl fluoride

N-cyano-1-methylsulfanylmethanimidoyl fluoride (PubChem CID 89240109) has the molecular formula C3H3FN2S and a molecular weight of 118.14 g/mol. Its IUPAC name is N-cyano-1-methylsulfanylmethanimidoyl fluoride.

Molecular Properties

Compound NameN-cyano-1-methylsulfanylmethanimidoyl fluoride
PubChem CID89240109
Molecular FormulaC3H3FN2S
Molecular Weight118.14 g/mol
Exact Mass118.00
IUPAC NameN-cyano-1-methylsulfanylmethanimidoyl fluoride
SMILESCS/C(F)=N/C#N
InChIInChI=1S/C3H3FN2S/c1-7-3(4)6-2-5/h1H3/b6-3+
InChIKeyGAYJLNBZZBVMHL-ZZXKWVIFSA-N
XLogP1.16
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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 N-cyano-1-methylsulfanylmethanimidoyl fluoride?
The IUPAC name of N-cyano-1-methylsulfanylmethanimidoyl fluoride (CID 89240109) is N-cyano-1-methylsulfanylmethanimidoyl fluoride.
What is the SMILES notation for N-cyano-1-methylsulfanylmethanimidoyl fluoride?
The canonical SMILES for N-cyano-1-methylsulfanylmethanimidoyl fluoride is CS/C(F)=N/C#N.
What is the InChIKey of N-cyano-1-methylsulfanylmethanimidoyl fluoride?
The InChIKey is GAYJLNBZZBVMHL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C3H3FN2S/c1-7-3(4)6-2-5/h1H3/b6-3+.
What are the key properties of N-cyano-1-methylsulfanylmethanimidoyl fluoride?
N-cyano-1-methylsulfanylmethanimidoyl fluoride has a molecular weight of 118.14 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-1-methylsulfanylmethanimidoyl fluoride is sourced from PubChem (CID 89240109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).