[(2-formylbenzoyl)-methylamino] thiohypofluorite

C9H8FNO2S — CID 155149630

IUPAC[(2-formylbenzoyl)-methylamino] thiohypofluorite
SMILESCN(SF)C(=O)c1ccccc1C=O
InChIInChI=1S/C9H8FNO2S/c1-11(14-10)9(13)8-5-3-2-4-7(8)6-12/h2-6H,1H3
InChIKeyGKQLWQIOYSHKGG-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.10
Rot. Bonds3

About [(2-formylbenzoyl)-methylamino] thiohypofluorite

[(2-formylbenzoyl)-methylamino] thiohypofluorite (PubChem CID 155149630) has the molecular formula C9H8FNO2S and a molecular weight of 213.23 g/mol. Its IUPAC name is [(2-formylbenzoyl)-methylamino] thiohypofluorite.

Molecular Properties

Compound Name[(2-formylbenzoyl)-methylamino] thiohypofluorite
PubChem CID155149630
Molecular FormulaC9H8FNO2S
Molecular Weight213.23 g/mol
Exact Mass213.03
IUPAC Name[(2-formylbenzoyl)-methylamino] thiohypofluorite
SMILESCN(SF)C(=O)c1ccccc1C=O
InChIInChI=1S/C9H8FNO2S/c1-11(14-10)9(13)8-5-3-2-4-7(8)6-12/h2-6H,1H3
InChIKeyGKQLWQIOYSHKGG-UHFFFAOYSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)sulfanyl-2-formyl-N-methylbenzamide;ethane
CID 142541818
2-formyl-N-heptyl-N-methylbenzamide
CID 144774360
N'-(4-bromophenyl)-2-formyl-N-methylbenzohydrazide
CID 144653099
2-formylbenzoyl iodide
CID 88830490
2-formylbenzoic acid;methoxymethane
CID 90858085
N-(2,4-dioxoimidazolidin-1-yl)-2-formyl-N-methylbenzamide
CID 130441815
N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide
CID 155241258
2-formyl-N,N-dimethylbenzenecarboximidamide
CID 57076481
[(2-formylbenzoyl)-methylamino] formate;oxane
CID 178114254
N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-formyl-N-methylbenzamide
CID 145417827
ethyl-[[4-[[2-[(2-formylbenzoyl)-methylamino]ethyl-dimethylazaniumyl]methyl]phenyl]methyl]-dimethylazanium
CID 165403293
N-(5,6-dihydroxyhexyl)-2-formyl-N-methylbenzamide
CID 130371515

Frequently Asked Questions

What is the IUPAC name of [(2-formylbenzoyl)-methylamino] thiohypofluorite?
The IUPAC name of [(2-formylbenzoyl)-methylamino] thiohypofluorite (CID 155149630) is [(2-formylbenzoyl)-methylamino] thiohypofluorite.
What is the SMILES notation for [(2-formylbenzoyl)-methylamino] thiohypofluorite?
The canonical SMILES for [(2-formylbenzoyl)-methylamino] thiohypofluorite is CN(SF)C(=O)c1ccccc1C=O.
What is the InChIKey of [(2-formylbenzoyl)-methylamino] thiohypofluorite?
The InChIKey is GKQLWQIOYSHKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2S/c1-11(14-10)9(13)8-5-3-2-4-7(8)6-12/h2-6H,1H3.
What are the key properties of [(2-formylbenzoyl)-methylamino] thiohypofluorite?
[(2-formylbenzoyl)-methylamino] thiohypofluorite has a molecular weight of 213.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-formylbenzoyl)-methylamino] thiohypofluorite is sourced from PubChem (CID 155149630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).