1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione

C18H28N2O2S4 — CID 10048459

IUPAC1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione
SMILESO=C(CCCCCCCCCCC(=O)N1CCSC1=S)N1CCSC1=S
InChIInChI=1S/C18H28N2O2S4/c21-15(19-11-13-25-17(19)23)9-7-5-3-1-2-4-6-8-10-16(22)20-12-14-26-18(20)24/h1-14H2
InChIKeyQTQVJTVDEPXAQA-UHFFFAOYSA-N
MW432.70 g/mol
LogP4.61
Rot. Bonds11

About 1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione

1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione (PubChem CID 10048459) has the molecular formula C18H28N2O2S4 and a molecular weight of 432.70 g/mol. Its IUPAC name is 1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione.

Molecular Properties

Compound Name1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione
PubChem CID10048459
Molecular FormulaC18H28N2O2S4
Molecular Weight432.70 g/mol
Exact Mass432.10
IUPAC Name1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione
SMILESO=C(CCCCCCCCCCC(=O)N1CCSC1=S)N1CCSC1=S
InChIInChI=1S/C18H28N2O2S4/c21-15(19-11-13-25-17(19)23)9-7-5-3-1-2-4-6-8-10-16(22)20-12-14-26-18(20)24/h1-14H2
InChIKeyQTQVJTVDEPXAQA-UHFFFAOYSA-N
XLogP4.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.70
LogP ≤ 54.61
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'}

Analyze 1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione?
The IUPAC name of 1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione (CID 10048459) is 1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione.
What is the SMILES notation for 1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione?
The canonical SMILES for 1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione is O=C(CCCCCCCCCCC(=O)N1CCSC1=S)N1CCSC1=S.
What is the InChIKey of 1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione?
The InChIKey is QTQVJTVDEPXAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S4/c21-15(19-11-13-25-17(19)23)9-7-5-3-1-2-4-6-8-10-16(22)20-12-14-26-18(20)24/h1-14H2.
What are the key properties of 1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione?
1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione has a molecular weight of 432.70 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione is sourced from PubChem (CID 10048459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).