4-(1,3,2-dithiarsolan-2-yl)aniline

C8H10AsNS2 — CID 10587351

IUPAC4-(1,3,2-dithiarsolan-2-yl)aniline
SMILESNc1ccc([As]2SCCS2)cc1
InChIInChI=1S/C8H10AsNS2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6,10H2
InChIKeyPKKPMJCHFYSKJC-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.44
Rot. Bonds1

About 4-(1,3,2-dithiarsolan-2-yl)aniline

4-(1,3,2-dithiarsolan-2-yl)aniline (PubChem CID 10587351) has the molecular formula C8H10AsNS2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 4-(1,3,2-dithiarsolan-2-yl)aniline.

Molecular Properties

Compound Name4-(1,3,2-dithiarsolan-2-yl)aniline
PubChem CID10587351
Molecular FormulaC8H10AsNS2
Molecular Weight259.23 g/mol
Exact Mass258.95
IUPAC Name4-(1,3,2-dithiarsolan-2-yl)aniline
SMILESNc1ccc([As]2SCCS2)cc1
InChIInChI=1S/C8H10AsNS2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6,10H2
InChIKeyPKKPMJCHFYSKJC-UHFFFAOYSA-N
XLogP1.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,2-dithiarsolan-2-yl)aniline?
The IUPAC name of 4-(1,3,2-dithiarsolan-2-yl)aniline (CID 10587351) is 4-(1,3,2-dithiarsolan-2-yl)aniline.
What is the SMILES notation for 4-(1,3,2-dithiarsolan-2-yl)aniline?
The canonical SMILES for 4-(1,3,2-dithiarsolan-2-yl)aniline is Nc1ccc([As]2SCCS2)cc1.
What is the InChIKey of 4-(1,3,2-dithiarsolan-2-yl)aniline?
The InChIKey is PKKPMJCHFYSKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsNS2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6,10H2.
What are the key properties of 4-(1,3,2-dithiarsolan-2-yl)aniline?
4-(1,3,2-dithiarsolan-2-yl)aniline has a molecular weight of 259.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,2-dithiarsolan-2-yl)aniline is sourced from PubChem (CID 10587351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).