2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide

C9H11FN2OS — CID 63667642

IUPAC2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCSc1ccc(F)cc1/C(N)=N/O
InChIInChI=1S/C9H11FN2OS/c1-2-14-8-4-3-6(10)5-7(8)9(11)12-13/h3-5,13H,2H2,1H3,(H2,11,12)
InChIKeyJBUQRJMMKAICTN-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.03
Rot. Bonds3

About 2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide

2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 63667642) has the molecular formula C9H11FN2OS and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID63667642
Molecular FormulaC9H11FN2OS
Molecular Weight214.26 g/mol
Exact Mass214.06
IUPAC Name2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCSc1ccc(F)cc1/C(N)=N/O
InChIInChI=1S/C9H11FN2OS/c1-2-14-8-4-3-6(10)5-7(8)9(11)12-13/h3-5,13H,2H2,1H3,(H2,11,12)
InChIKeyJBUQRJMMKAICTN-UHFFFAOYSA-N
XLogP2.03
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-methanesulfonylbenzene-1-carboximidamide
CID 26817824
n-Hydroxy-4-methylsulfanyl-benzamidine
CID 4131701
4-Methylsulfanyl-benzamidine
CID 4571097
CID 6017598
CID 6017598
N'-Hydroxy-4-(methylthio)benzimidamide
CID 40642471
Methanesulfonylbenzamidoxime
CID 54424844
1-Methyl-3H-1,2-benzisothiazol-3-imine 1-oxide
CID 431790
N-hydroxy-4-methanesulfonyl-benzamidine
CID 22343270
CID 43140202
CID 43140202
N-Hydroxy-4-(methylsulfonyl)benzimidamide
CID 53437117
2,6-Difluoro-3-methylsulfanylbenzenecarboximidamide
CID 57019287
3-fluoro-N'-hydroxy-4-methylsulfanylbenzenecarboximidamide
CID 57856596

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 63667642) is 2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide is CCSc1ccc(F)cc1/C(N)=N/O.
What is the InChIKey of 2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is JBUQRJMMKAICTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c1-2-14-8-4-3-6(10)5-7(8)9(11)12-13/h3-5,13H,2H2,1H3,(H2,11,12).
What are the key properties of 2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 214.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 63667642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).