5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one

C9H7N3OS2 — CID 3826649

IUPAC5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1/N=N/c1ccccc1
InChIInChI=1S/C9H7N3OS2/c13-7-8(15-9(14)10-7)12-11-6-4-2-1-3-5-6/h1-5,8H,(H,10,13,14)/b12-11+
InChIKeySKNPFDHHLYFRTQ-VAWYXSNFSA-N
MW237.31 g/mol
LogP2.24
Rot. Bonds2

About 5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one

5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 3826649) has the molecular formula C9H7N3OS2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID3826649
Molecular FormulaC9H7N3OS2
Molecular Weight237.31 g/mol
Exact Mass237.00
IUPAC Name5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1/N=N/c1ccccc1
InChIInChI=1S/C9H7N3OS2/c13-7-8(15-9(14)10-7)12-11-6-4-2-1-3-5-6/h1-5,8H,(H,10,13,14)/b12-11+
InChIKeySKNPFDHHLYFRTQ-VAWYXSNFSA-N
XLogP2.24
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 3826649) is 5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)SC1/N=N/c1ccccc1.
What is the InChIKey of 5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is SKNPFDHHLYFRTQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H7N3OS2/c13-7-8(15-9(14)10-7)12-11-6-4-2-1-3-5-6/h1-5,8H,(H,10,13,14)/b12-11+.
What are the key properties of 5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 237.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 3826649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).