(NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine

C10H13NS — CID 169233004

IUPAC(NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine
SMILESC/C(=N\S)c1c(C)cccc1C
InChIInChI=1S/C10H13NS/c1-7-5-4-6-8(2)10(7)9(3)11-12/h4-6,12H,1-3H3/b11-9+
InChIKeyRIBRYHYTUHWXPU-PKNBQFBNSA-N
MW179.29 g/mol
LogP2.96
Rot. Bonds1

About (NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine

(NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine (PubChem CID 169233004) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine
PubChem CID169233004
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine
SMILESC/C(=N\S)c1c(C)cccc1C
InChIInChI=1S/C10H13NS/c1-7-5-4-6-8(2)10(7)9(3)11-12/h4-6,12H,1-3H3/b11-9+
InChIKeyRIBRYHYTUHWXPU-PKNBQFBNSA-N
XLogP2.96
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-ethanehydrazonoyl-3-methylphenol
CID 137274305
2,6-dimethylbenzenecarbothioic S-acid
CID 91881639
1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene
CID 170607608
carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
CID 159397931
2-[(Z)-but-2-en-2-yl]-1,3-dimethylbenzene;ethane
CID 144812182
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane
CID 145320894
2,6-dimethylbenzoyl fluoride
CID 23235034
2,6-dimethylbenzoyl iodide
CID 87941795
1-(2,6-dimethylphenyl)ethenamine
CID 70299963
1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene
CID 174000600
2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 164584980

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine?
The IUPAC name of (NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine (CID 169233004) is (NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine?
The canonical SMILES for (NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine is C/C(=N\S)c1c(C)cccc1C.
What is the InChIKey of (NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine?
The InChIKey is RIBRYHYTUHWXPU-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H13NS/c1-7-5-4-6-8(2)10(7)9(3)11-12/h4-6,12H,1-3H3/b11-9+.
What are the key properties of (NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine?
(NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine has a molecular weight of 179.29 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2,6-dimethylphenyl)ethylidene]thiohydroxylamine is sourced from PubChem (CID 169233004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).