3-chloro-5-methyl-2-phenyl-4H-diazarsole

C9H10AsClN2 — CID 13099673

IUPAC3-chloro-5-methyl-2-phenyl-4H-diazarsole
SMILESCC1=NN(c2ccccc2)[As](Cl)C1
InChIInChI=1S/C9H10AsClN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyFWLGMAYPSROVKY-UHFFFAOYSA-N
MW256.57 g/mol
LogP2.61
Rot. Bonds1

About 3-chloro-5-methyl-2-phenyl-4H-diazarsole

3-chloro-5-methyl-2-phenyl-4H-diazarsole (PubChem CID 13099673) has the molecular formula C9H10AsClN2 and a molecular weight of 256.57 g/mol. Its IUPAC name is 3-chloro-5-methyl-2-phenyl-4H-diazarsole.

Molecular Properties

Compound Name3-chloro-5-methyl-2-phenyl-4H-diazarsole
PubChem CID13099673
Molecular FormulaC9H10AsClN2
Molecular Weight256.57 g/mol
Exact Mass255.97
IUPAC Name3-chloro-5-methyl-2-phenyl-4H-diazarsole
SMILESCC1=NN(c2ccccc2)[As](Cl)C1
InChIInChI=1S/C9H10AsClN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyFWLGMAYPSROVKY-UHFFFAOYSA-N
XLogP2.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.57
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propanone, 2-phenylhydrazone
CID 66026
2-Butanone, 2-phenylhydrazone
CID 9576180
Butan-2-one phenylhydrazone
CID 101985
Cyclopentanone phenylhydrazone
CID 12301304
4-fluoro-N-(propan-2-ylideneamino)aniline
CID 14185591
Benzenamine, N-(1-methylethylidene)-
CID 11083930
n-[1-Methyl-prop-(e)-ylidene]-n'-phenyl-hydrazine
CID 5484472
2-fluoro-N-(propan-2-ylideneamino)aniline
CID 14185588
N-[(E)-hexan-2-ylideneamino]aniline
CID 12140381
Acetone methylphenylhydrazone
CID 12241513
Diethyl ketone phenylhydrazone
CID 13082670
(1Z)-N-phenylethanehydrazonoyl chloride
CID 20577190

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-2-phenyl-4H-diazarsole?
The IUPAC name of 3-chloro-5-methyl-2-phenyl-4H-diazarsole (CID 13099673) is 3-chloro-5-methyl-2-phenyl-4H-diazarsole.
What is the SMILES notation for 3-chloro-5-methyl-2-phenyl-4H-diazarsole?
The canonical SMILES for 3-chloro-5-methyl-2-phenyl-4H-diazarsole is CC1=NN(c2ccccc2)[As](Cl)C1.
What is the InChIKey of 3-chloro-5-methyl-2-phenyl-4H-diazarsole?
The InChIKey is FWLGMAYPSROVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10AsClN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 3-chloro-5-methyl-2-phenyl-4H-diazarsole?
3-chloro-5-methyl-2-phenyl-4H-diazarsole has a molecular weight of 256.57 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-2-phenyl-4H-diazarsole is sourced from PubChem (CID 13099673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).