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

C8H8AsNO3S2 — CID 171348259

IUPAC4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc([As]2SCCS2)ccc1O
InChIInChI=1S/C8H8AsNO3S2/c11-8-2-1-6(5-7(8)10(12)13)9-14-3-4-15-9/h1-2,5,11H,3-4H2
InChIKeyNYDFPGHKEYPDHC-UHFFFAOYSA-N
MW305.21 g/mol
LogP1.48
Rot. Bonds2

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

4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol (PubChem CID 171348259) has the molecular formula C8H8AsNO3S2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol.

Molecular Properties

Compound Name4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol
PubChem CID171348259
Molecular FormulaC8H8AsNO3S2
Molecular Weight305.21 g/mol
Exact Mass304.92
IUPAC Name4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc([As]2SCCS2)ccc1O
InChIInChI=1S/C8H8AsNO3S2/c11-8-2-1-6(5-7(8)10(12)13)9-14-3-4-15-9/h1-2,5,11H,3-4H2
InChIKeyNYDFPGHKEYPDHC-UHFFFAOYSA-N
XLogP1.48
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Roxarsone
CID 5104
2-Nitrophenol
CID 6947
2-Fluoro-6-nitrophenol
CID 73710
4-Fluoro-2-nitrophenol
CID 136236
5-Fluoro-2-nitrophenol
CID 9937
Phenol, 4-iodo-2-nitro-
CID 179373
Phen-2,3,4,5-d4-ol, 6-nitro-
CID 12208889
5-Iodo-2-nitrophenol
CID 14091689
Antineoplastic-49852
CID 241911
2-Iodo-6-nitrophenol
CID 13585202
2-Amino-4-(1,3,2-dithiarsolan-2-yl)phenol
CID 171349316
2-Nitrosophenol
CID 13462789

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol?
The IUPAC name of 4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol (CID 171348259) is 4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol.
What is the SMILES notation for 4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol?
The canonical SMILES for 4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol is O=[N+]([O-])c1cc([As]2SCCS2)ccc1O.
What is the InChIKey of 4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol?
The InChIKey is NYDFPGHKEYPDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8AsNO3S2/c11-8-2-1-6(5-7(8)10(12)13)9-14-3-4-15-9/h1-2,5,11H,3-4H2.
What are the key properties of 4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol?
4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol has a molecular weight of 305.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,2-dithiarsolan-2-yl)-2-nitrophenol is sourced from PubChem (CID 171348259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).