2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide

C8H11N3OS — CID 20566348

IUPAC2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide
SMILESN/C(CSc1ccccc1N)=N\O
InChIInChI=1S/C8H11N3OS/c9-6-3-1-2-4-7(6)13-5-8(10)11-12/h1-4,12H,5,9H2,(H2,10,11)
InChIKeyGIOBBYWZZVHQCU-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.11
Rot. Bonds3

About 2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide

2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide (PubChem CID 20566348) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide
PubChem CID20566348
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide
SMILESN/C(CSc1ccccc1N)=N\O
InChIInChI=1S/C8H11N3OS/c9-6-3-1-2-4-7(6)13-5-8(10)11-12/h1-4,12H,5,9H2,(H2,10,11)
InChIKeyGIOBBYWZZVHQCU-UHFFFAOYSA-N
XLogP1.11
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide (CID 20566348) is 2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide is N/C(CSc1ccccc1N)=N\O.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide?
The InChIKey is GIOBBYWZZVHQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-6-3-1-2-4-7(6)13-5-8(10)11-12/h1-4,12H,5,9H2,(H2,10,11).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide?
2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide has a molecular weight of 197.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N'-hydroxyethanimidamide is sourced from PubChem (CID 20566348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).