(NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine

C23H21NOS — CID 139757593

IUPAC(NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(/C=C/SC(c1ccccc1)(c1ccccc1)c1ccccc1)=N\O
InChIInChI=1S/C23H21NOS/c1-19(24-25)17-18-26-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,25H,1H3/b18-17+,24-19+
InChIKeyLRABXGAFOZCSFZ-FLOJWQGSSA-N
MW359.49 g/mol
LogP6.08
Rot. Bonds6

About (NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine

(NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine (PubChem CID 139757593) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is (NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine
PubChem CID139757593
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC Name(NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(/C=C/SC(c1ccccc1)(c1ccccc1)c1ccccc1)=N\O
InChIInChI=1S/C23H21NOS/c1-19(24-25)17-18-26-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,25H,1H3/b18-17+,24-19+
InChIKeyLRABXGAFOZCSFZ-FLOJWQGSSA-N
XLogP6.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 56.08
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine
CID 139757590
tert-butyl (Z)-3-tritylsulfanylprop-2-enoate
CID 5377061
N-[(Z)-2-tritylsulfanylethenyl]acetamide
CID 12620558
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
(NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine
CID 15259766
N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine
CID 6926110
ethane;[methylsulfanyl(diphenyl)methyl]benzene
CID 143921889
[5-[(E)-2-tritylsulfanylethenyl]-1,3-thiazol-4-yl]methanol
CID 68601369
methyl 5-[(E)-2-tritylsulfanylethenyl]-1,3-thiazole-4-carboxylate
CID 68598838
(NZ)-N-[(E)-3-phenylpent-3-en-2-ylidene]hydroxylamine
CID 5370538
3-tert-butylsulfanyl-1-phenylprop-2-en-1-one
CID 71439473
(E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol
CID 5363740

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine (CID 139757593) is (NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine is CC(/C=C/SC(c1ccccc1)(c1ccccc1)c1ccccc1)=N\O.
What is the InChIKey of (NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine?
The InChIKey is LRABXGAFOZCSFZ-FLOJWQGSSA-N. The full InChI is InChI=1S/C23H21NOS/c1-19(24-25)17-18-26-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,25H,1H3/b18-17+,24-19+.
What are the key properties of (NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine?
(NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine has a molecular weight of 359.49 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 139757593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).