N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide

C12H18N2OS2 — CID 113385916

IUPACN'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide
SMILESCSc1cccc(SCC(C)C)c1/C(N)=N/O
InChIInChI=1S/C12H18N2OS2/c1-8(2)7-17-10-6-4-5-9(16-3)11(10)12(13)14-15/h4-6,8,15H,7H2,1-3H3,(H2,13,14)
InChIKeyYLIHGIMYBUYFGQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.25
Rot. Bonds5

About N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide

N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide (PubChem CID 113385916) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide
PubChem CID113385916
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC NameN'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide
SMILESCSc1cccc(SCC(C)C)c1/C(N)=N/O
InChIInChI=1S/C12H18N2OS2/c1-8(2)7-17-10-6-4-5-9(16-3)11(10)12(13)14-15/h4-6,8,15H,7H2,1-3H3,(H2,13,14)
InChIKeyYLIHGIMYBUYFGQ-UHFFFAOYSA-N
XLogP3.25
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylbutylsulfanyl)benzenecarboximidamide
CID 107749725
2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide
CID 113385918
N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 43125829
2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 76945000
2-ethylsulfanyl-6-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 113385931
2-fluoro-N'-hydroxy-6-propan-2-ylsulfanylbenzenecarboximidamide
CID 79522692
2-ethylsulfanyl-N'-hydroxy-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552126
N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 114538150
2-(3-chloro-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 116689183
N'-hydroxy-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 77112678
2-(5-bromo-2-fluorophenoxy)-N'-hydroxy-6-methylsulfanylbenzenecarboximidamide
CID 114673561
N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide
CID 113385813

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide (CID 113385916) is N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide is CSc1cccc(SCC(C)C)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is YLIHGIMYBUYFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-8(2)7-17-10-6-4-5-9(16-3)11(10)12(13)14-15/h4-6,8,15H,7H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide?
N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 270.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 113385916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).