2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate

C15H14ClFN2OS — CID 8775323

IUPAC2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate
SMILESN/C(=N/c1ccc(Cl)cc1)SCCOc1ccccc1F
InChIInChI=1S/C15H14ClFN2OS/c16-11-5-7-12(8-6-11)19-15(18)21-10-9-20-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H2,18,19)
InChIKeyGGYRGWNOCFHJML-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.24
Rot. Bonds5

About 2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate

2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate (PubChem CID 8775323) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate
PubChem CID8775323
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate
SMILESN/C(=N/c1ccc(Cl)cc1)SCCOc1ccccc1F
InChIInChI=1S/C15H14ClFN2OS/c16-11-5-7-12(8-6-11)19-15(18)21-10-9-20-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H2,18,19)
InChIKeyGGYRGWNOCFHJML-UHFFFAOYSA-N
XLogP4.24
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)ethyl N'-(4-ethoxyphenyl)carbamimidothioate
CID 8775293
2-(2-fluorophenoxy)ethyl N'-benzylcarbamimidothioate
CID 8776079
2-(2-chlorophenoxy)ethyl N'-[4-[(2R)-butan-2-yl]phenyl]carbamimidothioate
CID 8776033
2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate
CID 8776664
2-(4-chlorophenoxy)ethyl N'-(3-methylphenyl)carbamimidothioate
CID 8776546
2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate
CID 8776329
4-(N'-phenylcarbamimidoyl)sulfanylbutyl N'-phenylcarbamimidothioate;hydrobromide
CID 54605449
4-chloro-2-[2-(2-fluorophenoxy)ethylsulfanyl]aniline
CID 79527953
2-(4-chlorophenoxy)ethyl N'-aminocarbamimidothioate
CID 77059870
4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline
CID 55024304
3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-[4-(2-methoxyethoxy)phenyl]carbamimidothioate
CID 56836305
3-chloro-2-[2-(2-fluorophenoxy)ethylsulfanyl]aniline
CID 43304729

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate (CID 8775323) is 2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate is N/C(=N/c1ccc(Cl)cc1)SCCOc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate?
The InChIKey is GGYRGWNOCFHJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-11-5-7-12(8-6-11)19-15(18)21-10-9-20-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H2,18,19).
What are the key properties of 2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate?
2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate has a molecular weight of 324.81 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate is sourced from PubChem (CID 8775323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).