S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride

C6H6ClN3O4S — CID 175558039

IUPACS-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride
SMILESCl.NSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C6H5N3O4S.ClH/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13;/h1-3H,7H2;1H
InChIKeyVCBDAXZVVLUOLM-UHFFFAOYSA-N
MW251.65 g/mol
LogP1.89
Rot. Bonds3

About S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride

S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride (PubChem CID 175558039) has the molecular formula C6H6ClN3O4S and a molecular weight of 251.65 g/mol. Its IUPAC name is S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride.

Molecular Properties

Compound NameS-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride
PubChem CID175558039
Molecular FormulaC6H6ClN3O4S
Molecular Weight251.65 g/mol
Exact Mass250.98
IUPAC NameS-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride
SMILESCl.NSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C6H5N3O4S.ClH/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13;/h1-3H,7H2;1H
InChIKeyVCBDAXZVVLUOLM-UHFFFAOYSA-N
XLogP1.89
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.65
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2,4-dinitrophenyl)sulfanylpropylsulfanyl]-2,4-dinitrobenzene
CID 3460056
amino-(2,4-dinitrophenyl)azanium;hydrochloride
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2-[(2,4-dinitrophenyl)disulfanyl]pyrimidine
CID 56691356
1-[4-[4-(2,4-dinitrophenyl)sulfanylphenoxy]phenyl]sulfanyl-2,4-dinitrobenzene
CID 3090660
4-(2,4-dinitrophenyl)sulfanyl-1-methyl-2-nitrobenzene
CID 57359203
(1S)-1-(2,4-dinitrophenyl)ethanamine
CID 54102317
benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
2-cyclobutylidene-2-(2,4-dinitrophenyl)sulfanylethanol
CID 5248992
1-[(2R)-butan-2-yl]oxysulfanyl-2,4-dinitrobenzene
CID 10333418
tert-butylsulfanyl-(2,4-dinitrophenyl)sulfanylmethanethione
CID 16638425
1-(dicyclopropylmethoxysulfanyl)-2,4-dinitrobenzene
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1-(difluoromethyl)-2,4-dinitrobenzene
CID 154791323

Frequently Asked Questions

What is the IUPAC name of S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride?
The IUPAC name of S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride (CID 175558039) is S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride.
What is the SMILES notation for S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride?
The canonical SMILES for S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride is Cl.NSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride?
The InChIKey is VCBDAXZVVLUOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O4S.ClH/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13;/h1-3H,7H2;1H.
What are the key properties of S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride?
S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride has a molecular weight of 251.65 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2,4-dinitrophenyl)thiohydroxylamine;hydrochloride is sourced from PubChem (CID 175558039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).