(5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one

C9H7N3OS2 — CID 7116164

IUPAC(5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1NC(=S)[C@@H](/N=N/c2ccccc2)S1
InChIInChI=1S/C9H7N3OS2/c13-9-10-7(14)8(15-9)12-11-6-4-2-1-3-5-6/h1-5,8H,(H,10,13,14)/b12-11+/t8-/m0/s1
InChIKeyZGNUYSVFNMQXIB-BVKVCPRXSA-N
MW237.31 g/mol
LogP2.88
Rot. Bonds2

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

(5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 7116164) has the molecular formula C9H7N3OS2 and a molecular weight of 237.31 g/mol. Its IUPAC name is (5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID7116164
Molecular FormulaC9H7N3OS2
Molecular Weight237.31 g/mol
Exact Mass237.00
IUPAC Name(5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1NC(=S)[C@@H](/N=N/c2ccccc2)S1
InChIInChI=1S/C9H7N3OS2/c13-9-10-7(14)8(15-9)12-11-6-4-2-1-3-5-6/h1-5,8H,(H,10,13,14)/b12-11+/t8-/m0/s1
InChIKeyZGNUYSVFNMQXIB-BVKVCPRXSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of (5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one (CID 7116164) is (5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for (5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for (5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one is O=C1NC(=S)[C@@H](/N=N/c2ccccc2)S1.
What is the InChIKey of (5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is ZGNUYSVFNMQXIB-BVKVCPRXSA-N. The full InChI is InChI=1S/C9H7N3OS2/c13-9-10-7(14)8(15-9)12-11-6-4-2-1-3-5-6/h1-5,8H,(H,10,13,14)/b12-11+/t8-/m0/s1.
What are the key properties of (5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one?
(5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 237.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-phenyldiazenyl-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 7116164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).