[(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride

C5H10ClNO2S — CID 45266307

IUPAC[(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride
SMILESC[S+](C)CC(=O)/C=N/O.[Cl-]
InChIInChI=1S/C5H9NO2S.ClH/c1-9(2)4-5(7)3-6-8;/h3H,4H2,1-2H3;1H
InChIKeySJEALZSXADNVBO-UHFFFAOYSA-N
MW183.66 g/mol
LogP-3.10
Rot. Bonds3

About [(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride

[(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride (PubChem CID 45266307) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is [(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride.

Molecular Properties

Compound Name[(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride
PubChem CID45266307
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Name[(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride
SMILESC[S+](C)CC(=O)/C=N/O.[Cl-]
InChIInChI=1S/C5H9NO2S.ClH/c1-9(2)4-5(7)3-6-8;/h3H,4H2,1-2H3;1H
InChIKeySJEALZSXADNVBO-UHFFFAOYSA-N
XLogP-3.10
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 5-3.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'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

1-hydroxyiminopentan-2-one
CID 6410471
4-hydroxyimino-N-methyl-3-oxobutanamide
CID 173398159
dimethyl(2-oxopropyl)sulfanium
CID 10998003
(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one
CID 17027005
[(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium
CID 6412547
(2-ethylsulfanyl-2-oxoethyl)-dimethylsulfanium
CID 71380765
(1E)-5-(diethylamino)-1-hydroxyiminopentan-2-one;hydrochloride
CID 172954738
(2Z)-2-hydroxyiminoacetyl chloride
CID 175180486
(NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
CID 135538356
(2E)-2-hydroxyiminoacetyl iodide
CID 88576223
(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one
CID 51713838
N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel
CID 161461506

Frequently Asked Questions

What is the IUPAC name of [(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride?
The IUPAC name of [(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride (CID 45266307) is [(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride.
What is the SMILES notation for [(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride?
The canonical SMILES for [(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride is C[S+](C)CC(=O)/C=N/O.[Cl-].
What is the InChIKey of [(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride?
The InChIKey is SJEALZSXADNVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S.ClH/c1-9(2)4-5(7)3-6-8;/h3H,4H2,1-2H3;1H.
What are the key properties of [(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride?
[(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride has a molecular weight of 183.66 g/mol, XLogP of -3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-hydroxyimino-2-oxopropyl]-dimethylsulfanium chloride is sourced from PubChem (CID 45266307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).