2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol

C8H10AsNOS2 — CID 171349316

IUPAC2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol
SMILESNc1cc([As]2SCCS2)ccc1O
InChIInChI=1S/C8H10AsNOS2/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,11H,3-4,10H2
InChIKeyKZCGJAXJFTXBIS-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.15
Rot. Bonds1

About 2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol

2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol (PubChem CID 171349316) has the molecular formula C8H10AsNOS2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol
PubChem CID171349316
Molecular FormulaC8H10AsNOS2
Molecular Weight275.23 g/mol
Exact Mass274.94
IUPAC Name2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol
SMILESNc1cc([As]2SCCS2)ccc1O
InChIInChI=1S/C8H10AsNOS2/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,11H,3-4,10H2
InChIKeyKZCGJAXJFTXBIS-UHFFFAOYSA-N
XLogP1.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol?
The IUPAC name of 2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol (CID 171349316) is 2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol.
What is the SMILES notation for 2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol?
The canonical SMILES for 2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol is Nc1cc([As]2SCCS2)ccc1O.
What is the InChIKey of 2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol?
The InChIKey is KZCGJAXJFTXBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsNOS2/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,11H,3-4,10H2.
What are the key properties of 2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol?
2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol has a molecular weight of 275.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,3,2-dithiarsolan-2-yl)phenol is sourced from PubChem (CID 171349316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).