ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane

C9H12FNOS — CID 125450850

IUPACethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane
SMILESCC[S@@](C)(=O)=Nc1cccc(F)c1
InChIInChI=1S/C9H12FNOS/c1-3-13(2,12)11-9-6-4-5-8(10)7-9/h4-7H,3H2,1-2H3/t13-/m1/s1
InChIKeyRSHKSVIYKBDHOL-CYBMUJFWSA-N
MW201.27 g/mol
LogP2.57
Rot. Bonds2

About ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane

ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane (PubChem CID 125450850) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane
PubChem CID125450850
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Nameethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane
SMILESCC[S@@](C)(=O)=Nc1cccc(F)c1
InChIInChI=1S/C9H12FNOS/c1-3-13(2,12)11-9-6-4-5-8(10)7-9/h4-7H,3H2,1-2H3/t13-/m1/s1
InChIKeyRSHKSVIYKBDHOL-CYBMUJFWSA-N
XLogP2.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-3-(sulfonylamino)benzene
CID 151719875
1,3-difluorobenzene;sulfuryl dichloride
CID 87166886
(4-bromo-2-fluorophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
CID 125450647
ethyl 3-fluorobenzenesulfonate
CID 15066297
(Z)-3-[(3-fluorophenyl)diazenyl]-4-hydroxypent-3-en-2-one
CID 135672253
(2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
CID 125449498
1,1-difluoro-N-(3-fluorophenyl)propan-2-imine
CID 130247360
1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
CID 112686124
(1S)-1-(3-fluorophenyl)-2-methylsulfonylethanamine
CID 94451384
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
1,3-difluorobenzene;methanol
CID 144994633
N'-(3-fluorophenyl)-3,3-dimethyl-N-(N-methylsulfonylanilino)-2-oxobutanimidamide
CID 174548115

Frequently Asked Questions

What is the IUPAC name of ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane?
The IUPAC name of ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane (CID 125450850) is ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane is CC[S@@](C)(=O)=Nc1cccc(F)c1.
What is the InChIKey of ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane?
The InChIKey is RSHKSVIYKBDHOL-CYBMUJFWSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-3-13(2,12)11-9-6-4-5-8(10)7-9/h4-7H,3H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane?
ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane has a molecular weight of 201.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(3-fluorophenyl)imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 125450850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).