3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide

C11H9BrN2OS2 — CID 82800208

IUPAC3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Sc2cccs2)c(Br)c1
InChIInChI=1S/C11H9BrN2OS2/c12-8-6-7(11(13)14-15)3-4-9(8)17-10-2-1-5-16-10/h1-6,15H,(H2,13,14)
InChIKeyJADYPHLGQJXGEW-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.76
Rot. Bonds3

About 3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide

3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide (PubChem CID 82800208) has the molecular formula C11H9BrN2OS2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide
PubChem CID82800208
Molecular FormulaC11H9BrN2OS2
Molecular Weight329.24 g/mol
Exact Mass327.93
IUPAC Name3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Sc2cccs2)c(Br)c1
InChIInChI=1S/C11H9BrN2OS2/c12-8-6-7(11(13)14-15)3-4-9(8)17-10-2-1-5-16-10/h1-6,15H,(H2,13,14)
InChIKeyJADYPHLGQJXGEW-UHFFFAOYSA-N
XLogP3.76
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

3-bromo-4-(2-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 82798618
3-bromo-4-(4-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 82799463
3-bromo-N'-hydroxy-4-(1H-indol-2-ylsulfanyl)benzenecarboximidamide
CID 82787052
3-bromo-N'-hydroxy-4-(oxetan-3-ylsulfanyl)benzenecarboximidamide
CID 82799691
3-bromo-4-cyclohexylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 82799684
5-bromo-2-thiophen-2-ylsulfanylaniline
CID 28602794
3-bromo-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 82799158
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
CID 115565457
2-bromo-6-thiophen-2-ylsulfanylaniline
CID 130577536
N'-hydroxy-2-thiophen-2-ylsulfanylquinoline-3-carboximidamide
CID 77025114
2-(2,4-dichlorophenyl)sulfanylthiophene
CID 175549844

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide?
The IUPAC name of 3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide (CID 82800208) is 3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide is N/C(=N/O)c1ccc(Sc2cccs2)c(Br)c1.
What is the InChIKey of 3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide?
The InChIKey is JADYPHLGQJXGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS2/c12-8-6-7(11(13)14-15)3-4-9(8)17-10-2-1-5-16-10/h1-6,15H,(H2,13,14).
What are the key properties of 3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide?
3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide has a molecular weight of 329.24 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-hydroxy-4-thiophen-2-ylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 82800208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).