(NE)-N-(2-phenylsulfanylethylidene)hydroxylamine

C8H9NOS — CID 14266959

IUPAC(NE)-N-(2-phenylsulfanylethylidene)hydroxylamine
SMILESO/N=C/CSc1ccccc1
InChIInChI=1S/C8H9NOS/c10-9-6-7-11-8-4-2-1-3-5-8/h1-6,10H,7H2/b9-6+
InChIKeyQFLRFYYZZWFTCH-RMKNXTFCSA-N
MW167.23 g/mol
LogP2.24
Rot. Bonds3

About (NE)-N-(2-phenylsulfanylethylidene)hydroxylamine

(NE)-N-(2-phenylsulfanylethylidene)hydroxylamine (PubChem CID 14266959) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is (NE)-N-(2-phenylsulfanylethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-phenylsulfanylethylidene)hydroxylamine
PubChem CID14266959
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name(NE)-N-(2-phenylsulfanylethylidene)hydroxylamine
SMILESO/N=C/CSc1ccccc1
InChIInChI=1S/C8H9NOS/c10-9-6-7-11-8-4-2-1-3-5-8/h1-6,10H,7H2/b9-6+
InChIKeyQFLRFYYZZWFTCH-RMKNXTFCSA-N
XLogP2.24
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

Ethanimidamide, N-hydroxy-2-(phenylthio)-, monohydrochloride
CID 9588372
(NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine
CID 6394997
(NE)-N-(2-phenylsulfanylcyclohexylidene)hydroxylamine
CID 12301364
(NE)-N-[(2S)-2-phenylsulfanylcyclohexylidene]hydroxylamine
CID 134964751
(NZ)-N-[(2Z)-2,4,5,5-tetrachloro-3-phenylsulfanylpenta-2,4-dienylidene]hydroxylamine
CID 135053267
(NE,S)-2-methyl-N-(2-phenylsulfanylethylidene)propane-2-sulfinamide
CID 155929941
N'-hydroxy-2-phenylsulfanylethanimidamide
CID 9588373
(NE)-N-[2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine
CID 53483602
(NE)-N-[(2R)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine
CID 177439222
(NE)-N-[(2S)-2-(4-fluorophenyl)sulfanylcyclohexylidene]hydroxylamine
CID 177451819
2-[2-(Phenylsulfanyl)ethylidene]hydrazinecarboximidamide
CID 9696107
phenyl (1E)-N-hydroxyethanimidothioate
CID 13180047

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-phenylsulfanylethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-phenylsulfanylethylidene)hydroxylamine (CID 14266959) is (NE)-N-(2-phenylsulfanylethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-phenylsulfanylethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-phenylsulfanylethylidene)hydroxylamine is O/N=C/CSc1ccccc1.
What is the InChIKey of (NE)-N-(2-phenylsulfanylethylidene)hydroxylamine?
The InChIKey is QFLRFYYZZWFTCH-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H9NOS/c10-9-6-7-11-8-4-2-1-3-5-8/h1-6,10H,7H2/b9-6+.
What are the key properties of (NE)-N-(2-phenylsulfanylethylidene)hydroxylamine?
(NE)-N-(2-phenylsulfanylethylidene)hydroxylamine has a molecular weight of 167.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-phenylsulfanylethylidene)hydroxylamine is sourced from PubChem (CID 14266959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).