N-(dithiophen-2-ylmethylidene)hydroxylamine

C9H7NOS2 — CID 2775140

IUPACN-(dithiophen-2-ylmethylidene)hydroxylamine
SMILESON=C(c1cccs1)c1cccs1
InChIInChI=1S/C9H7NOS2/c11-10-9(7-3-1-5-12-7)8-4-2-6-13-8/h1-6,11H
InChIKeyUXSSDPITEOFAMK-UHFFFAOYSA-N
MW209.30 g/mol
LogP3.04
Rot. Bonds2

About N-(dithiophen-2-ylmethylidene)hydroxylamine

N-(dithiophen-2-ylmethylidene)hydroxylamine (PubChem CID 2775140) has the molecular formula C9H7NOS2 and a molecular weight of 209.30 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethylidene)hydroxylamine
PubChem CID2775140
Molecular FormulaC9H7NOS2
Molecular Weight209.30 g/mol
Exact Mass209.00
IUPAC NameN-(dithiophen-2-ylmethylidene)hydroxylamine
SMILESON=C(c1cccs1)c1cccs1
InChIInChI=1S/C9H7NOS2/c11-10-9(7-3-1-5-12-7)8-4-2-6-13-8/h1-6,11H
InChIKeyUXSSDPITEOFAMK-UHFFFAOYSA-N
XLogP3.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[5-(N-hydroxy-C-thiophen-2-ylcarbonimidoyl)thiophen-2-yl]acetic acid
CID 6614337
(NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine
CID 119090697
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
(NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine
CID 6340976
2-[4-(N-hydroxy-C-thiophen-2-ylcarbonimidoyl)phenoxy]-2-methylpropanoic acid
CID 88771344
N-(2-phenyl-1-thiophen-2-ylethylidene)hydroxylamine
CID 71948509
ethene;2-(1-thiophen-2-ylethenyl)thiophene
CID 174797517
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine
CID 2833779
N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile
CID 172953513

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethylidene)hydroxylamine?
The IUPAC name of N-(dithiophen-2-ylmethylidene)hydroxylamine (CID 2775140) is N-(dithiophen-2-ylmethylidene)hydroxylamine.
What is the SMILES notation for N-(dithiophen-2-ylmethylidene)hydroxylamine?
The canonical SMILES for N-(dithiophen-2-ylmethylidene)hydroxylamine is ON=C(c1cccs1)c1cccs1.
What is the InChIKey of N-(dithiophen-2-ylmethylidene)hydroxylamine?
The InChIKey is UXSSDPITEOFAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS2/c11-10-9(7-3-1-5-12-7)8-4-2-6-13-8/h1-6,11H.
What are the key properties of N-(dithiophen-2-ylmethylidene)hydroxylamine?
N-(dithiophen-2-ylmethylidene)hydroxylamine has a molecular weight of 209.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethylidene)hydroxylamine is sourced from PubChem (CID 2775140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).