1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione

C16H24N2O2S4 — CID 10001296

IUPAC1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione
SMILESO=C(CCCCCCCCC(=O)N1CCSC1=S)N1CCSC1=S
InChIInChI=1S/C16H24N2O2S4/c19-13(17-9-11-23-15(17)21)7-5-3-1-2-4-6-8-14(20)18-10-12-24-16(18)22/h1-12H2
InChIKeyVDYOOFRRDKLBKH-UHFFFAOYSA-N
MW404.65 g/mol
LogP3.83
Rot. Bonds9

About 1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione

1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione (PubChem CID 10001296) has the molecular formula C16H24N2O2S4 and a molecular weight of 404.65 g/mol. Its IUPAC name is 1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione.

Molecular Properties

Compound Name1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione
PubChem CID10001296
Molecular FormulaC16H24N2O2S4
Molecular Weight404.65 g/mol
Exact Mass404.07
IUPAC Name1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione
SMILESO=C(CCCCCCCCC(=O)N1CCSC1=S)N1CCSC1=S
InChIInChI=1S/C16H24N2O2S4/c19-13(17-9-11-23-15(17)21)7-5-3-1-2-4-6-8-14(20)18-10-12-24-16(18)22/h1-12H2
InChIKeyVDYOOFRRDKLBKH-UHFFFAOYSA-N
XLogP3.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.65
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Rhodanine, 3,3'-hexamethylenedi-
CID 210685
2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis-
CID 4866772
2-Thiazolidinethione, 3-(1-oxohexadecyl)-
CID 10021262
2-Thiazolidinethione, 3-(1-oxooctyl)-
CID 10868564
1,10-Bis(2-sulfanylidenepyrrolidin-1-yl)decane-1,10-dione
CID 3089046
1,5-Bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione
CID 15499832
2-Thiazolidinethione, 3-(1-oxooctadecyl)-
CID 9977400
2-Thiazolidinethione, 3-(1-oxododecyl)-
CID 11001114
3-Ethyl-5-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 12220066
1-(2-Sulfanylidene-1,3-thiazolidin-3-yl)decan-1-one
CID 12675045
4-Thiazolidinone, 3,3'-(1,10-decanediyl)bis[2-thioxo-
CID 14365445
1,8-Bis(2-sulfanylidene-1,3-thiazolidin-3-yl)octane-1,8-dione
CID 15499833

Frequently Asked Questions

What is the IUPAC name of 1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione?
The IUPAC name of 1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione (CID 10001296) is 1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione.
What is the SMILES notation for 1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione?
The canonical SMILES for 1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione is O=C(CCCCCCCCC(=O)N1CCSC1=S)N1CCSC1=S.
What is the InChIKey of 1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione?
The InChIKey is VDYOOFRRDKLBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S4/c19-13(17-9-11-23-15(17)21)7-5-3-1-2-4-6-8-14(20)18-10-12-24-16(18)22/h1-12H2.
What are the key properties of 1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione?
1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione has a molecular weight of 404.65 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione is sourced from PubChem (CID 10001296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).