2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide

C9H11ClN2OS — CID 76945000

IUPAC2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
SMILESCCSc1cccc(Cl)c1C(N)=NO
InChIInChI=1S/C9H11ClN2OS/c1-2-14-7-5-3-4-6(10)8(7)9(11)12-13/h3-5,13H,2H2,1H3,(H2,11,12)
InChIKeyVEYOKRHXMPIYPD-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.55
Rot. Bonds3

About 2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide

2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide (PubChem CID 76945000) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
PubChem CID76945000
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
SMILESCCSc1cccc(Cl)c1C(N)=NO
InChIInChI=1S/C9H11ClN2OS/c1-2-14-7-5-3-4-6(10)8(7)9(11)12-13/h3-5,13H,2H2,1H3,(H2,11,12)
InChIKeyVEYOKRHXMPIYPD-UHFFFAOYSA-N
XLogP2.55
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.55
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

2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide
CID 113385918
2-ethylsulfanyl-N'-hydroxy-6-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107749725
2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
2-ethylsulfanyl-N'-hydroxy-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552126
2-chloro-6-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76945151
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 107480056
2-chloro-N'-hydroxy-6-[propan-2-yl(propyl)amino]benzenecarboximidamide
CID 55079599
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 76945017
N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide
CID 113385916
2-chloro-N'-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 76944987
2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76945319

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide (CID 76945000) is 2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide is CCSc1cccc(Cl)c1C(N)=NO.
What is the InChIKey of 2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide?
The InChIKey is VEYOKRHXMPIYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c1-2-14-7-5-3-4-6(10)8(7)9(11)12-13/h3-5,13H,2H2,1H3,(H2,11,12).
What are the key properties of 2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide?
2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide has a molecular weight of 230.72 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76945000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).