phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate

C15H15FN2S — CID 134852617

IUPACphenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate
SMILESCN(C)/C(=N\c1ccc(F)cc1)Sc1ccccc1
InChIInChI=1S/C15H15FN2S/c1-18(2)15(19-14-6-4-3-5-7-14)17-13-10-8-12(16)9-11-13/h3-11H,1-2H3/b17-15+
InChIKeyWBOWBICIMWKSQQ-BMRADRMJSA-N
MW274.36 g/mol
LogP4.17
Rot. Bonds2

About phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate

phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate (PubChem CID 134852617) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate.

Molecular Properties

Compound Namephenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate
PubChem CID134852617
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Namephenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate
SMILESCN(C)/C(=N\c1ccc(F)cc1)Sc1ccccc1
InChIInChI=1S/C15H15FN2S/c1-18(2)15(19-14-6-4-3-5-7-14)17-13-10-8-12(16)9-11-13/h3-11H,1-2H3/b17-15+
InChIKeyWBOWBICIMWKSQQ-BMRADRMJSA-N
XLogP4.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.17
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 phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate?
The IUPAC name of phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate (CID 134852617) is phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate.
What is the SMILES notation for phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate?
The canonical SMILES for phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate is CN(C)/C(=N\c1ccc(F)cc1)Sc1ccccc1.
What is the InChIKey of phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate?
The InChIKey is WBOWBICIMWKSQQ-BMRADRMJSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-18(2)15(19-14-6-4-3-5-7-14)17-13-10-8-12(16)9-11-13/h3-11H,1-2H3/b17-15+.
What are the key properties of phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate?
phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate has a molecular weight of 274.36 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N'-(4-fluorophenyl)-N,N-dimethylcarbamimidothioate is sourced from PubChem (CID 134852617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).