(NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine

C22H19NOS — CID 139757590

IUPAC(NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine
SMILESO/N=C/C=C/SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NOS/c24-23-17-10-18-25-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,24H/b18-10+,23-17+
InChIKeyHUYVIHJILFWTDC-BBNRGPPLSA-N
MW345.47 g/mol
LogP5.69
Rot. Bonds6

About (NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine

(NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine (PubChem CID 139757590) has the molecular formula C22H19NOS and a molecular weight of 345.47 g/mol. Its IUPAC name is (NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine
PubChem CID139757590
Molecular FormulaC22H19NOS
Molecular Weight345.47 g/mol
Exact Mass345.12
IUPAC Name(NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine
SMILESO/N=C/C=C/SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NOS/c24-23-17-10-18-25-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,24H/b18-10+,23-17+
InChIKeyHUYVIHJILFWTDC-BBNRGPPLSA-N
XLogP5.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.69
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)-4-tritylsulfanylbut-3-en-2-ylidene]hydroxylamine
CID 139757593
N-[(Z)-2-tritylsulfanylethenyl]acetamide
CID 12620558
tert-butyl (Z)-3-tritylsulfanylprop-2-enoate
CID 5377061
1,1'-biphenyl;(NZ)-N-[(2Z)-2-hydroxyiminoethylidene]hydroxylamine
CID 135796571
[5-[(E)-2-tritylsulfanylethenyl]-1,3-thiazol-4-yl]methanol
CID 68601369
5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide
CID 68601263
(4-methoxyphenyl)methyl N-[(Z)-4-tritylsulfanylbut-3-enyl]carbamate
CID 139702002
5-(2-tritylsulfanylethenyl)-1,3-thiazole-4-carboxamide
CID 68598433
N-[2-[(Z)-3-tritylsulfanylprop-2-enyl]sulfanylethyl]methanesulfonamide
CID 139702118
[diphenyl(2-tritylsulfanylethynylsulfanyl)methyl]benzene
CID 16754466
ethane;[methylsulfanyl(diphenyl)methyl]benzene
CID 143921889
[nitrososulfanyl(diphenyl)methyl]benzene;triphenylmethanethiol
CID 159261235

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine (CID 139757590) is (NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine is O/N=C/C=C/SC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine?
The InChIKey is HUYVIHJILFWTDC-BBNRGPPLSA-N. The full InChI is InChI=1S/C22H19NOS/c24-23-17-10-18-25-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,24H/b18-10+,23-17+.
What are the key properties of (NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine?
(NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine has a molecular weight of 345.47 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-3-tritylsulfanylprop-2-enylidene]hydroxylamine is sourced from PubChem (CID 139757590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).