3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one

C13H23NOS2 — CID 13321107

IUPAC3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCCCCCCCCCN1C(=O)CSC1=S
InChIInChI=1S/C13H23NOS2/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-17-13(14)16/h2-11H2,1H3
InChIKeyRLIYTFBVJQMPKQ-UHFFFAOYSA-N
MW273.47 g/mol
LogP3.99
Rot. Bonds9

About 3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one

3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 13321107) has the molecular formula C13H23NOS2 and a molecular weight of 273.47 g/mol. Its IUPAC name is 3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID13321107
Molecular FormulaC13H23NOS2
Molecular Weight273.47 g/mol
Exact Mass273.12
IUPAC Name3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCCCCCCCCCN1C(=O)CSC1=S
InChIInChI=1S/C13H23NOS2/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-17-13(14)16/h2-11H2,1H3
InChIKeyRLIYTFBVJQMPKQ-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 13321107) is 3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one is CCCCCCCCCCN1C(=O)CSC1=S.
What is the InChIKey of 3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RLIYTFBVJQMPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS2/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-17-13(14)16/h2-11H2,1H3.
What are the key properties of 3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one?
3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 273.47 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 13321107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).