2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide

C11H16N2O2S2 — CID 113385918

IUPAC2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide
SMILESCCSc1cccc(SCCO)c1/C(N)=N/O
InChIInChI=1S/C11H16N2O2S2/c1-2-16-8-4-3-5-9(17-7-6-14)10(8)11(12)13-15/h3-5,14-15H,2,6-7H2,1H3,(H2,12,13)
InChIKeyDHXNLXFKZFMHFL-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.98
Rot. Bonds6

About 2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide

2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide (PubChem CID 113385918) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide
PubChem CID113385918
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide
SMILESCCSc1cccc(SCCO)c1/C(N)=N/O
InChIInChI=1S/C11H16N2O2S2/c1-2-16-8-4-3-5-9(17-7-6-14)10(8)11(12)13-15/h3-5,14-15H,2,6-7H2,1H3,(H2,12,13)
InChIKeyDHXNLXFKZFMHFL-UHFFFAOYSA-N
XLogP1.98
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 76945000
2-ethylsulfanyl-N'-hydroxy-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552126
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 107480056
N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide
CID 113385916
N'-hydroxy-2-(3-hydroxypropylsulfanyl)benzenecarboximidamide
CID 77112944
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
N'-hydroxy-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 77112678
2-bromo-6-ethylsulfanylbenzenecarboximidamide
CID 114884380
2-ethylsulfanyl-6-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 113385931
N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide
CID 76916406

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
The IUPAC name of 2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide (CID 113385918) is 2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide is CCSc1cccc(SCCO)c1/C(N)=N/O.
What is the InChIKey of 2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
The InChIKey is DHXNLXFKZFMHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-2-16-8-4-3-5-9(17-7-6-14)10(8)11(12)13-15/h3-5,14-15H,2,6-7H2,1H3,(H2,12,13).
What are the key properties of 2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide has a molecular weight of 272.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N'-hydroxy-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 113385918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).