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

C10H12AsClN2 — CID 86012142

IUPAC3-chloro-5-ethyl-2-phenyl-4H-diazarsole
SMILESCCC1=NN(c2ccccc2)[As](Cl)C1
InChIInChI=1S/C10H12AsClN2/c1-2-9-8-11(12)14(13-9)10-6-4-3-5-7-10/h3-7H,2,8H2,1H3
InChIKeyDDQBEOBCBJBGNQ-UHFFFAOYSA-N
MW270.59 g/mol
LogP3.00
Rot. Bonds2

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

3-chloro-5-ethyl-2-phenyl-4H-diazarsole (PubChem CID 86012142) has the molecular formula C10H12AsClN2 and a molecular weight of 270.59 g/mol. Its IUPAC name is 3-chloro-5-ethyl-2-phenyl-4H-diazarsole.

Molecular Properties

Compound Name3-chloro-5-ethyl-2-phenyl-4H-diazarsole
PubChem CID86012142
Molecular FormulaC10H12AsClN2
Molecular Weight270.59 g/mol
Exact Mass269.99
IUPAC Name3-chloro-5-ethyl-2-phenyl-4H-diazarsole
SMILESCCC1=NN(c2ccccc2)[As](Cl)C1
InChIInChI=1S/C10H12AsClN2/c1-2-9-8-11(12)14(13-9)10-6-4-3-5-7-10/h3-7H,2,8H2,1H3
InChIKeyDDQBEOBCBJBGNQ-UHFFFAOYSA-N
XLogP3.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 53.00
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, 3-methyl-, 2-phenylhydrazone
CID 9576162
2-Butanone, 2-phenylhydrazone
CID 9576180
Butan-2-one phenylhydrazone
CID 101985
Cyclohexanone phenylhydrazone
CID 70353
3-Methyl-2-butanone phenyl hydrazone
CID 98656
Cyclopentanone phenylhydrazone
CID 12301304
4-fluoro-N-(propan-2-ylideneamino)aniline
CID 14185591
3-(Phenylhydrazono) butan-2-one oxime
CID 135524984
1-Phenyl-3-methyl-2-pyrazoline
CID 1521771
n-[1-Methyl-prop-(e)-ylidene]-n'-phenyl-hydrazine
CID 5484472
N-[(Z)-3-methylbutan-2-ylideneamino]aniline
CID 5484372

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-2-phenyl-4H-diazarsole?
The IUPAC name of 3-chloro-5-ethyl-2-phenyl-4H-diazarsole (CID 86012142) is 3-chloro-5-ethyl-2-phenyl-4H-diazarsole.
What is the SMILES notation for 3-chloro-5-ethyl-2-phenyl-4H-diazarsole?
The canonical SMILES for 3-chloro-5-ethyl-2-phenyl-4H-diazarsole is CCC1=NN(c2ccccc2)[As](Cl)C1.
What is the InChIKey of 3-chloro-5-ethyl-2-phenyl-4H-diazarsole?
The InChIKey is DDQBEOBCBJBGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12AsClN2/c1-2-9-8-11(12)14(13-9)10-6-4-3-5-7-10/h3-7H,2,8H2,1H3.
What are the key properties of 3-chloro-5-ethyl-2-phenyl-4H-diazarsole?
3-chloro-5-ethyl-2-phenyl-4H-diazarsole has a molecular weight of 270.59 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-2-phenyl-4H-diazarsole is sourced from PubChem (CID 86012142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).