(E)-2-hydroxy-2-phenylsulfanylethenediazonium

C8H7N2OS+ — CID 10773663

IUPAC(E)-2-hydroxy-2-phenylsulfanylethenediazonium
SMILESN#[N+]/C=C(\O)Sc1ccccc1
InChIInChI=1S/C8H6N2OS/c9-10-6-8(11)12-7-4-2-1-3-5-7/h1-6H/p+1/b8-6+
InChIKeyFYKASXMTAAVYBJ-SOFGYWHQSA-O
MW179.22 g/mol
LogP2.99
Rot. Bonds2

About (E)-2-hydroxy-2-phenylsulfanylethenediazonium

(E)-2-hydroxy-2-phenylsulfanylethenediazonium (PubChem CID 10773663) has the molecular formula C8H7N2OS+ and a molecular weight of 179.22 g/mol. Its IUPAC name is (E)-2-hydroxy-2-phenylsulfanylethenediazonium.

Molecular Properties

Compound Name(E)-2-hydroxy-2-phenylsulfanylethenediazonium
PubChem CID10773663
Molecular FormulaC8H7N2OS+
Molecular Weight179.22 g/mol
Exact Mass179.03
IUPAC Name(E)-2-hydroxy-2-phenylsulfanylethenediazonium
SMILESN#[N+]/C=C(\O)Sc1ccccc1
InChIInChI=1S/C8H6N2OS/c9-10-6-8(11)12-7-4-2-1-3-5-7/h1-6H/p+1/b8-6+
InChIKeyFYKASXMTAAVYBJ-SOFGYWHQSA-O
XLogP2.99
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-2-phenylsulfanylethenediazonium?
The IUPAC name of (E)-2-hydroxy-2-phenylsulfanylethenediazonium (CID 10773663) is (E)-2-hydroxy-2-phenylsulfanylethenediazonium.
What is the SMILES notation for (E)-2-hydroxy-2-phenylsulfanylethenediazonium?
The canonical SMILES for (E)-2-hydroxy-2-phenylsulfanylethenediazonium is N#[N+]/C=C(\O)Sc1ccccc1.
What is the InChIKey of (E)-2-hydroxy-2-phenylsulfanylethenediazonium?
The InChIKey is FYKASXMTAAVYBJ-SOFGYWHQSA-O. The full InChI is InChI=1S/C8H6N2OS/c9-10-6-8(11)12-7-4-2-1-3-5-7/h1-6H/p+1/b8-6+.
What are the key properties of (E)-2-hydroxy-2-phenylsulfanylethenediazonium?
(E)-2-hydroxy-2-phenylsulfanylethenediazonium has a molecular weight of 179.22 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-2-phenylsulfanylethenediazonium is sourced from PubChem (CID 10773663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).