2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide

C8H8Cl2N2OS — CID 57086054

IUPAC2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide
SMILESNC(CSc1cccc(Cl)c1Cl)=NO
InChIInChI=1S/C8H8Cl2N2OS/c9-5-2-1-3-6(8(5)10)14-4-7(11)12-13/h1-3,13H,4H2,(H2,11,12)
InChIKeyFOTCQYIOIIOKGP-UHFFFAOYSA-N
MW251.14 g/mol
LogP2.83
Rot. Bonds3

About 2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide

2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide (PubChem CID 57086054) has the molecular formula C8H8Cl2N2OS and a molecular weight of 251.14 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide
PubChem CID57086054
Molecular FormulaC8H8Cl2N2OS
Molecular Weight251.14 g/mol
Exact Mass249.97
IUPAC Name2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide
SMILESNC(CSc1cccc(Cl)c1Cl)=NO
InChIInChI=1S/C8H8Cl2N2OS/c9-5-2-1-3-6(8(5)10)14-4-7(11)12-13/h1-3,13H,4H2,(H2,11,12)
InChIKeyFOTCQYIOIIOKGP-UHFFFAOYSA-N
XLogP2.83
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.83
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-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide
CID 20566348
N'-amino-2-(2-chlorophenyl)sulfanylethanimidamide
CID 77113318
2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide
CID 66153535
3-(2,3-dichlorophenoxy)-N'-hydroxypentanimidamide
CID 43175295
2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 76945000
3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 107306583
2-[(2,3-dichlorophenyl)sulfanylmethyl]furan
CID 173213846
3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
CID 103480356
3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77120050
N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide
CID 155703004
3-(2-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide
CID 43187694
2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 142465588

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide (CID 57086054) is 2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide is NC(CSc1cccc(Cl)c1Cl)=NO.
What is the InChIKey of 2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide?
The InChIKey is FOTCQYIOIIOKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2OS/c9-5-2-1-3-6(8(5)10)14-4-7(11)12-13/h1-3,13H,4H2,(H2,11,12).
What are the key properties of 2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide?
2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide has a molecular weight of 251.14 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide is sourced from PubChem (CID 57086054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).