2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one

C14H10N2OS2 — CID 6539150

IUPAC2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one
SMILESO=c1sn(-c2ccccc2)c(=S)n1-c1ccccc1
InChIInChI=1S/C14H10N2OS2/c17-14-15(11-7-3-1-4-8-11)13(18)16(19-14)12-9-5-2-6-10-12/h1-10H
InChIKeyPRDNKKPIALEDSB-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.42
Rot. Bonds2

About 2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one

2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one (PubChem CID 6539150) has the molecular formula C14H10N2OS2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one.

Molecular Properties

Compound Name2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one
PubChem CID6539150
Molecular FormulaC14H10N2OS2
Molecular Weight286.38 g/mol
Exact Mass286.02
IUPAC Name2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one
SMILESO=c1sn(-c2ccccc2)c(=S)n1-c1ccccc1
InChIInChI=1S/C14H10N2OS2/c17-14-15(11-7-3-1-4-8-11)13(18)16(19-14)12-9-5-2-6-10-12/h1-10H
InChIKeyPRDNKKPIALEDSB-UHFFFAOYSA-N
XLogP3.42
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one?
The IUPAC name of 2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one (CID 6539150) is 2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one.
What is the SMILES notation for 2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one?
The canonical SMILES for 2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one is O=c1sn(-c2ccccc2)c(=S)n1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one?
The InChIKey is PRDNKKPIALEDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS2/c17-14-15(11-7-3-1-4-8-11)13(18)16(19-14)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one?
2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one has a molecular weight of 286.38 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one is sourced from PubChem (CID 6539150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).