(2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane

C10H8N2O3S — CID 57052596

IUPAC(2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane
SMILES[N-]=[N+]=C1C=Cc2ccccc2C1=S(=O)(O)O
InChIInChI=1S/C10H8N2O3S/c11-12-9-6-5-7-3-1-2-4-8(7)10(9)16(13,14)15/h1-6H,(H2,13,14,15)
InChIKeyYBWGFMSZFBJDIE-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.14
Rot. Bonds

About (2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane

(2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane (PubChem CID 57052596) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is (2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane
PubChem CID57052596
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name(2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane
SMILES[N-]=[N+]=C1C=Cc2ccccc2C1=S(=O)(O)O
InChIInChI=1S/C10H8N2O3S/c11-12-9-6-5-7-3-1-2-4-8(7)10(9)16(13,14)15/h1-6H,(H2,13,14,15)
InChIKeyYBWGFMSZFBJDIE-UHFFFAOYSA-N
XLogP1.14
TPSA93.93 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane?
The IUPAC name of (2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane (CID 57052596) is (2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane.
What is the SMILES notation for (2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane?
The canonical SMILES for (2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane is [N-]=[N+]=C1C=Cc2ccccc2C1=S(=O)(O)O.
What is the InChIKey of (2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane?
The InChIKey is YBWGFMSZFBJDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c11-12-9-6-5-7-3-1-2-4-8(7)10(9)16(13,14)15/h1-6H,(H2,13,14,15).
What are the key properties of (2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane?
(2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane has a molecular weight of 236.25 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diazonaphthalen-1-ylidene)-dihydroxy-oxo-λ6-sulfane is sourced from PubChem (CID 57052596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).